Dataset Viewer
CID
int64 19
165M
| SMILES
stringlengths 2
109
| description
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6.48k
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1,000 |
C1=CC=C(C=C1)C(CN)O
|
This is a description of a molecule: The molecule is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
The molecule is a natural product found in Peucedanum palustre, Pseudo-nitzschia multistriata, and other organisms with data available.
The molecule is also used in chemical industry. Generate this molecule graph between <graph> </graph>:
|
<graph>g_82molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_83molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_86molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_87molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_88molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_90molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_91molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,007 |
CC(C)(CC1=CC=C(C=C1)Cl)N
|
This is a description of a molecule: The molecule is a member of amphetamines.
A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of dextroamphetamine. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1223)
The molecule is a chlorinated analogue of phentermine, a sympathomimetic amine with central nervous system (CNS) stimulating and anorexic activity. Chlorphentermine acts by facilitating the release of catecholamines, especially noradrenaline and dopamine, from nerve terminals in the brain and also inhibits their uptake. The increase in synaptic concentrations of these catecholamines causes behavioral changes including an increase in motor activity, mental alertness and excitement, causes euphoria, and suppresses appetite.
A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of DEXTROAMPHETAMINE. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1223) Generate this molecule graph between <graph> </graph>:
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<graph>g_214molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_215molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_216molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_215molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_217molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_215molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_218molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_220molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_221molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_222molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_223molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_222molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_224molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_225molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
1,003 |
OP(=O)(O)[O-]
|
This is a description of a molecule: The molecule is a monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. It is a monovalent inorganic anion and a phosphate ion. It is a conjugate base of a phosphoric acid. It is a conjugate acid of a hydrogenphosphate. Generate this molecule graph between <graph> </graph>:
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<graph>g_388molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_389molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_390molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_389molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_391molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_389molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_392molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
100,308 |
COC1=C([C@@H]([C@@](C=C1Br)(CC#N)O)O)Br
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This is a description of a molecule: The molecule is a tertiary alcohol.
The molecule is a natural product found in Pseudoceratina durissima, Aplysina, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_107molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_111molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_114molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_115molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_116molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_117molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_118molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_119molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_118molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_117molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_116molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_120molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_116molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_121molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
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10,037 |
C=C=C
|
This is a description of a molecule: Propadiene, stabilized appears as a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the containers may rupture violently and rocket.
The molecule is a member of allenes. Generate this molecule graph between <graph> </graph>:
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<graph>g_419molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_420molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_421molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
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10,037,425 |
C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)O
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This is a description of a molecule: The molecule is an orally bioavailable 4-thio modified 2-deoxycytidine analog, with potential antineoplastic activity. Upon administration of 4-thio-2-deoxycytidine (TdCyd), this cytidine analog gets incorporated into DNA during replication and inhibits the activity of DNA methyltransferase 1 (DNMT1), which blocks DNA hypermethylation. This results in DNMT1 depletion, hypomethylation of DNA, and the reactivation of tumor suppressor genes that were silenced by hypermethylation; this results in antitumor activity and an inhibition of tumor cell proliferation. Generate this molecule graph between <graph> </graph>:
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<graph>g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_140molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_144molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_147molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_148molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_140molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_150molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_149molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_151molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_153molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
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10,038 |
C=C=O
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This is a description of a molecule: The molecule is the manufacture of acetic anhydride, sorbic acid, cinnamic acids, chloroacetyl chloride and other materials. Readily polymerizes and cannot be shipped or stored. Is obtained instead as needed from diketene. DIKETENE (CAS: 674-82-8; Formula: C4H2O2 ) is a colorless liquid with a pungent odor. mp: -6.5 °C; bp: 127 °C. Density 1.08 g/cm3. Reacts violently with water. Is obtained from the dimerization of ketene and can be stored and transported under refrigeration. A severe lachrymator (irritates the eyes, the respiratory tract, and the skin as well). Depolymerizes at 650 °C to give ketene.
The molecule is a ketene. Generate this molecule graph between <graph> </graph>:
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<graph>g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_347molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
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10,040 |
C(=S)(Cl)Cl
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This is a description of a molecule: Thiophosgene appears as a reddish liquid. Boiling point 73.5 °C. A severe eye irritant. May severely burn skin on contact. Very toxic by inhalation and by skin absorption.
The molecule is a thiocarbonyl compound and a one-carbon compound. Generate this molecule graph between <graph> </graph>:
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<graph>g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_93molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_94molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_95molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
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10,044 |
CC(C)C(C)(C)C
|
This is a description of a molecule: The molecule is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Decarboxylated monoamine derivatives of TRYPTOPHAN. Generate this molecule graph between <graph> </graph>:
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<graph>g_421molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_422molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_423molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_424molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_423molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_425molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_423molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_422molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_426molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_422molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_427molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
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10,058,450 |
C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
|
This is a description of a molecule: The molecule is a deoxyheptose that is L-glycero-D-manno-heptopyranose in which the 7-hydroxy group is substituted by hydrogen. It is functionally related to a D-mannopyranose. Generate this molecule graph between <graph> </graph>:
|
<graph>g_490molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_491molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_492molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_493molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_494molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_493molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_495molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_493molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_492molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_496molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_497molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_498molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_497molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_499molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_500molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_499molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_501molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_502molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_501molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_491molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,060,362 |
C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=C(C=C3)O)O
|
This is a description of a molecule: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted bybhydroxy groups at positions 1, 2 and 5. It is isolated from Garcinia subelliptica. It has a role as a metabolite. It is a member of xanthones and a polyphenol.
The molecule is a natural product found in Hypericum chinense, Garcinia subelliptica, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_109molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_109molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_112molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_114molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_115molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_116molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_115molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_117molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_118molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_117molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_119molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_120molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_114molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_121molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_122molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_123molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_122molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_124molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,074 |
CO[C@@H]1C[C@]23C4=C(CCN2CC=C3C=C1)COC(=O)C4
|
This is a description of a molecule: The molecule is an organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. It has a role as a muscle relaxant and a plant metabolite. It is an indole alkaloid, a delta-lactone, an organic heterotetracyclic compound and a tertiary amino compound.
The molecule is a natural product found in Erythrina berteroana, Erythrina arborescens, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_471molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_472molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_473molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_477molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_478molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_479molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_481molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_479molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_482molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_483molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_484molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_477molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_485molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_477molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_484molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_486molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_487molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_485molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_488molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_489molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_490molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_472molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,084,612 |
CC(C)(C1=CC2=CC(=C3C=COC=CC3=C2O1)OC)O
|
This is a description of a molecule: The molecule is a natural product found in Perilla frutescens var. crispa, Perilla frutescens var. acuta, and Perilla frutescens with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_431molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_432molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_433molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_434molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_433molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_435molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_433molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_436molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_433molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_432molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_437molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_439molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_440molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_442molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_443molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_442molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_444molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_445molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_446molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_447molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_448molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_449molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_450molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_444molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_450molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_439molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_431molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,089,677 |
C1=CN=C(C2=C1NC(=N2)N)C3=CC(=C(N3)Br)Br
|
This is a description of a molecule: The molecule is an imidazopyridine that is 1H-imidazo[4,5-c]pyridin-2-amine substituted by a 4,5-dibromo-1H-pyrrol-2-yl group at position 4. It is an alkaloid isolated from a marine sponge Agelas nakamurai and acts as an inhibitor of the matrix metalloproteinases, the key enzymes involved in tumour growth, migration, angiogenesis, invasion and metastasis. It has a role as a metabolite, a matrix metalloproteinase inhibitor, an antineoplastic agent and an angiogenesis inhibitor. It is an imidazopyridine, a member of pyrroles, an organobromine compound, an alkaloid and an aromatic amine. Generate this molecule graph between <graph> </graph>:
|
<graph>g_325molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_326molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_327molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_328molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_329molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_330molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_331molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_332molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_331molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_333molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_334molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_333molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_335molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_329molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_328molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_336molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_337molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_336molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_338molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_339molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_340molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_339molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_341molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_337molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_325molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,101 |
CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O
|
This is a description of a molecule: The molecule is a member of piperidines.
The molecule is a powerful opioid analgesic. It also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection. Generate this molecule graph between <graph> </graph>:
|
<graph>g_179molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_180molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_181molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_180molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_179molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_182molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_179molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_183molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_184molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_185molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_186molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_187molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_186molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_188molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_189molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_183molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_190molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_191molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_192molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_193molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_192molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_194molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_195molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_196molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_190molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,103,306 |
C(CC(=O)N)C(C(=O)O)O
|
This is a description of a molecule: The molecule is a dicarboxylic acid monoamide that is 5-amino-5-oxopentanoic acid carrying a hydroxy group at position 2. It is a metabolite identified in human breast milk. It has a role as a human metabolite. It is a dicarboxylic acid monoamide and a 2-hydroxy monocarboxylic acid. It is functionally related to a glutaramic acid. Generate this molecule graph between <graph> </graph>:
|
<graph>g_250molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_251molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_252molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_253molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_254molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_255molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_256molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_255molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_257molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_255molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_254molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_258molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_254molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_253molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_252molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_251molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_259molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
10,103,438 |
C1=CC2=C(C=C1O)NC=C2C=O
|
This is a description of a molecule: The molecule is a member of hydroxyindoles.
The molecule is a natural product found in Cyclocybe cylindracea, Haliclona oculata, and Agrocybe cylindracea with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_347molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_348molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_349molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_350molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_349molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_351molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_352molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_352molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_354molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_356molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_358molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_356molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_347molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
101,140,117 |
CSCCCCC[C@@H](C(=O)O)N
|
This is a description of a molecule: The molecule is an L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms. It is a L-polyhomomethionine and a trihomomethionine. It is a tautomer of a L-trihomomethionine zwitterion. Generate this molecule graph between <graph> </graph>:
|
<graph>g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_74molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_75molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_76molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_77molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_78molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_79molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_80molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_81molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_80molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_79molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_78molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_77molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_76molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_75molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_74molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_82molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_74molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_83molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_84molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,125,075 |
CCC1=NC=CC(=C1)C(=O)O
|
This is a description of a molecule: The molecule is a pyridinemonocarboxylic acid that is isonicotinic acid with an ethyl substituent at position 2 on the ring. It has a role as a metabolite. It is functionally related to an isonicotinic acid. Generate this molecule graph between <graph> </graph>:
|
<graph>g_506molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_507molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_508molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_509molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_510molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_511molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_0molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_1molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_2molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_1molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_3molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_1molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_0molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_4molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_508molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
101,260,859 |
C1[C@H]2[C@H]3[C@@H]([C@@H]1[C@@H]4[C@H]2O4)C5(C(=C([C@@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl
|
This is a description of a molecule: The molecule is a solid, white, almost odorless substance that was used as a pesticide to control insects, rodents, and birds. Endrin has not been produced or sold for general use in the United States since 1986. Little is known about the properties of endrin aldehyde (an impurity and breakdown product of endrin) or endrin ketone (a product of endrin when it is exposed to light).
The molecule is a white crystalline, odorless solid dissolved in a liquid carrier. It is water emulsifiable. It is toxic by inhalation, skin absorption, and/or ingestion. When heated or burned it may emit toxic hydrogen chloride and phosgene. It is used as a pesticide. Generate this molecule graph between <graph> </graph>:
|
<graph>g_468molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_469molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_470molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_472molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_473molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_477molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_478molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_479molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_478molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_473molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_481molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_480molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_482molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_483molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_482molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_484molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_482molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_485molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_470molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_469molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_486molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_472molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_486molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_468molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,131,032 |
C[C@@H]([C@H]1C(=O)N=C(O1)N)C2=CNC3=CC=CC=C32
|
This is a description of a molecule: The molecule is a member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by amino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively. It has a role as a bacterial metabolite. It is a member of indoles, a member of 1,3-oxazoles and a primary amino compound. It is a conjugate base of a N-demethylindolmycin(1+). Generate this molecule graph between <graph> </graph>:
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<graph>g_95molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_96molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_99molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_100molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_101molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_102molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_103molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_104molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_105molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_106molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_103molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_100molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_112molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_96molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
101,634,632 |
CC(C)[C@@]1(CC[C@]2([C@@H](CC[C@]([C@@H]2C1)(C)O)O)C)O
|
This is a description of a molecule: The molecule is a eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 7. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid and a triol. Generate this molecule graph between <graph> </graph>:
|
<graph>g_437molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_438molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_439molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_440molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_442molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_443molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_442molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_444molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_442molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_445molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_446molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_437molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_447molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_448molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_449molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_448molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_450molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_451molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_452molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_453molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_452molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_454molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_452molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_437molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
1,017 |
C1=CC=C(C(=C1)C(=O)O)C(=O)O
|
This is a description of a molecule: Phthalic acid appears as white crystals or fine white powder. (NTP, 1992)
The molecule is a benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a phthalate(1-). Generate this molecule graph between <graph> </graph>:
|
<graph>g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_74molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_75molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_76molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_77molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_78molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_79molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_80molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_79molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_81molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_79molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_78molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_82molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_83molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_82molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_84molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
101,712,280 |
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@](CC[C@H]2O3)(C)O)C
|
This is a description of a molecule: The molecule is an organic heterotricyclic compound and sesquiterpenoid that is 11-oxatricyclo[5.3.1.0(2,6)]undecan-8-ol which is substituted by methyl groups at positions 2 and 8, and by an isopropyl group at position 5. The absolute stereochemistry is not known; it is either 1R,2R,5S,6S,7R,8R (as shown), or the enantiomer. It is an organic heterotricyclic compound, a sesquiterpenoid, a tertiary alcohol and a cyclic ether. Generate this molecule graph between <graph> </graph>:
|
<graph>g_496molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_497molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_498molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_499molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_498molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_500molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_498molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_497molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_501molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_502molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_503molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_496molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_504molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_505molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_506molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_505molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_507molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_505molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_508molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_509molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_510molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_503molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_511molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_503molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_510molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_0molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_504molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,171,240 |
C1=CN[13C](=O)NC1=O
|
This is a description of a molecule: The molecule is under investigation in clinical trial NCT01677338 (Phase 2 Study to Evaluate the Preliminary Performance of the C13-URA Breath Test Kit in Dyspeptic Subjects).
The molecule is a pyrimidone. Generate this molecule graph between <graph> </graph>:
|
<graph>g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_472molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_473molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_475molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_476molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_477molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_478molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_477molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
101,727 |
C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4
|
This is a description of a molecule: The molecule is a natural product found in Crinum asiaticum, Crinum asiaticum var. sinicum, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_142molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_147molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_148molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_148molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_150molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_153molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_154molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_155molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_156molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_155molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_157molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_158molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_159molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_156molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_153molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
101,750 |
CC(=CCCC1=CCC(CC1)C(=C)CCC=C(C)C)C
|
This is a description of a molecule: The molecule is a cycloalkene that is cyclohexene substituted by 2-methylpent-2-en-5-yl and 6-methylhepta-1,5-dien-2-yl groups at positions 1 and 4, respectively. It is a diterpene isolated from several plant species. It has a role as a volatile oil component. It is a diterpene and a cycloalkene.
The molecule is a natural product found in Pistacia lentiscus with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_35molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_36molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_37molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_38molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_39molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_40molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_41molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_42molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_43molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_42molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_44molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_42molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_41molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_40molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_39molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_38molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_45molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_46molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_35molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_47molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_48molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_47molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_49molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_50molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_51molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_52molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_53molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_52molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_54molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
101,796 |
CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.Cl.[Cl-]
|
This is a description of a molecule: The molecule is a hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid. It has a role as an antimetabolite and a vitamin B1 antagonist. It contains an oxythiamine chloride.
Thiamine antagonist, antimetabolite. Generate this molecule graph between <graph> </graph>:
|
<graph>g_145molecule#node#0#16molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_146molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_147molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_148molecule#node#0#6molecule#node#1#0molecule#node#2#6molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_150molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_153molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_154molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_153molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_155molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_156molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_148molecule#node#0#6molecule#node#1#0molecule#node#2#6molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_147molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_157molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_158molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_159molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_161molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_162molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_163molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_164molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_163molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_157molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
101,797,114 |
C1=CC=C2C(=C1)[C@@](C(=O)N2)(CC#N)O
|
This is a description of a molecule: The molecule is a natural product found in Pseudomonas cichorii, Brassica oleracea, and Brassica oleracea var. capitata with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_93molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_94molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_95molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_96molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_95molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_94molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_93molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_97molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_93molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_99molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_100molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_101molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_102molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_103molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_99molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_104molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_105molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
101,799 |
C1=CC=C(C(=C1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
|
This is a description of a molecule: The molecule is a beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. It has a role as a metabolite. It is a member of benzaldehydes, a beta-D-glucoside and a monosaccharide derivative. It is functionally related to a salicylaldehyde and a salicin.
The molecule is a natural product found in Crepis foetida with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_354molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_356molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_358molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_359molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_358molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_360molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_361molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_360molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_362molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_363molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_362molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_364molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_365molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_366molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_365molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_364molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_367molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_356molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_368molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_369molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_370molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_371molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_354molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_372molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
1,018 |
C1=CC=NC(=C1)C(=O)O
|
This is a description of a molecule: The molecule is a pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. It has a role as a MALDI matrix material and a human metabolite. It is a conjugate acid of a picolinate.
The molecule is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator and is produced in approximately 25-50 mg quantities by the body on a daily basis through the breakdown of tryptophan. PCL-016 plays a key role in zinc transport. As a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo, and sometimes works in conjunction with other cytokines such as interferon gamma to affect immune responses. Acne vulgaris, herpes and other viral infections therefore pose potential therapeutic targets of PCL-016.
The molecule is a natural product found in Aloe africana, Saccharomyces cerevisiae, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_389molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_390molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_391molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_392molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_393molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_396molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_397molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_389molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
101,814 |
C(CO)N(CCO)CCO.Cl
|
This is a description of a molecule: The molecule is the salt of triethanolamine. See the chemical datasheet for triethanolamine for more information.
The molecule is a hydrochloride obtained by combining triethanolamine with one equivalent of hydrogen chloride. It has a role as a surfactant. It contains a triethanolammonium. Generate this molecule graph between <graph> </graph>:
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<graph>g_106molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_107molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_113molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_110molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_114molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_115molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_116molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
101,821,085 |
CC1=CC(=O)[C@@]2([C@@H](O2)C(=O)CC(C)C)C(=O)N1
|
This is a description of a molecule: The molecule is an antimicrobial and cytotoxic natural product isolated from Aspergillus flavipes. It has a role as an Aspergillus metabolite, an antibacterial agent, an antifungal agent, an antineoplastic agent and a mycotoxin. It is a delta-lactam, a spiro-epoxide and a triketone. It contains a delta-lactam ring, an epoxy group and an isobutyl group. It is an enantiomer of a (+)-flavipucine. Generate this molecule graph between <graph> </graph>:
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<graph>g_257molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_258molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_259molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_260molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_261molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_262molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_261molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_263molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_264molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_265molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_264molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_266molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_264molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_263molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_261molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_260molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_267molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_259molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_268molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_269molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_268molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_270molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_271molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_272molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_271molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_273molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_258molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,198 |
C1CN2CC=C([C@@H]2[C@@H]1O)CO
|
This is a description of a molecule: The molecule is a member of pyrrolizines.
The molecule is a natural product found in Senecio nebrodensis, Lappula spinocarpos, and other organisms with data available.
The molecule is a pyrrolizidine alkaloid found in a variety of plants in the genera Senecio and Crotalaria, and the family Boraginaceae. It is the most common central core for other pyrrolizidine alkaloids. Generate this molecule graph between <graph> </graph>:
|
<graph>g_133molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_134molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_135molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_136molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_137molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_136molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_138molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_133molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_140molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_138molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,199,068 |
C[C@H]1[C@H](O1)P(=O)(O)O.C(C(CO)(CO)N)O
|
This is a description of a molecule: The molecule is a phosphonoacetic acid.
The molecule is the tromethamine salt form of fosfomycin, a synthetic broad-spectrum antibiotic. Fosfomycin tromethamine binds to and inactivates the enzyme enolpyruvyl transferase. This leads to an irreversible blockage of the condensation of uridine diphosphate-N-acetylglucosamine with p-enolpyruvate, which is one of the first steps of bacterial cell wall synthesis, thereby eventually causing cell lysis. In addition, fosfomycin tromethamine reduces the adherence of bacteria to uroepithelial cells. (NCI05) Generate this molecule graph between <graph> </graph>:
|
<graph>g_2molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_3molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_4molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_5molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_6molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_5molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_4molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_7molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_8molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_7molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_4molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_9molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_10molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_11molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_12molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_13molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_14molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_13molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_15molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_12molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_11molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_16molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_11molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_17molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
102,044,173 |
C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCC/C=C/C(=O)O)O)O
|
This is a description of a molecule: The molecule is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-8-oct-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an omega-hydroxy fatty acid ascaroside and a monocarboxylic acid. It is a conjugate acid of an oscr#13(1-). Generate this molecule graph between <graph> </graph>:
|
<graph>g_344molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#2g_347molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_348molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_349molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_350molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_351molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_352molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_354molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_355molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_354molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_356molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_358molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_359molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_360molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_359molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_361molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_352molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_351molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_350molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_349molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_348molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_347molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#2g_344molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_362molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_344molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_363molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
102,067,377 |
C(CCN)C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)N
|
This is a description of a molecule: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-lysine with the amino group of D-glutamic acid. It is a constituent of bacterial peptidoglycan type A4alpha. It is functionally related to a L-lysine and a D-glutamic acid. Generate this molecule graph between <graph> </graph>:
|
<graph>g_402molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_403molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_405molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_406molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_407molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_408molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_409molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_410molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_411molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_412molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_411molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_410molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_409molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_408molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_407molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_413molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_407molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_406molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_414molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_406molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_405molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_415molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_416molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_415molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_417molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_415molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_403molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_402molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_418molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_419molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_418molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_420molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,210 |
C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O
|
This is a description of a molecule: The molecule is a dicarboxylic acid. It is a conjugate acid of a diphenate(1-). It derives from a hydride of a biphenyl. Generate this molecule graph between <graph> </graph>:
|
<graph>g_83molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_86molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_87molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_88molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_90molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_91molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_88molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_93molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_94molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_95molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_87molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_86molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_96molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_98molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_99molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_100molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
10,215 |
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O
|
This is a description of a molecule: The molecule is a dark blue powder with coppery luster. Occurs in isomeric forms (cis and trans). In solid state it is in the trans form. (NTP, 1992)
The molecule is a member of hydroxyindoles.
The molecule is a natural product found in Isatis tinctoria and Couroupita guianensis with data available.
Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk. Generate this molecule graph between <graph> </graph>:
|
<graph>g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_396molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_397molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_398molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_399molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_401molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_402molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_401molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_403molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_405molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_406molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_407molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_408molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_403molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_409molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_399molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_410molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_411molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_410molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_412molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_397molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_412molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_413molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_414molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
102,189,647 |
CCC1=C(C(=C(C(=C1C=O)O)C)O)C
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This is a description of a molecule: The molecule is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3, 5, and 6 have been replaced by methyl, methyl, and ethyl groups, respectively. It is a dihydroxybenzaldehyde and a polyketide.
The molecule is a natural product found in Aspergillus nidulans with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_101molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_102molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_103molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_104molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_105molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_106molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_105molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_104molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_110molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_114molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_113molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_103molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,220,511 |
[NH4+].O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Mg+2]
|
This is a description of a molecule: The molecule is a hydrate that is the hexahydrate form of ammonium magnesium phosphate. It is a constituent of urinary calculi. It has a role as a fertilizer. It is a hydrate and a phosphate mineral. It contains an ammonium magnesium phosphate.
The molecule is a mineral with formula of (N3-H4)MgPO4·6H2O or (NH4)Mg(PO4)·6H2O. The corresponding IMA (International Mineralogical Association) number is . The IMA symbol is Suv. Generate this molecule graph between <graph> </graph>:
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<graph>g_321molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_322molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_323molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_322molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_324molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_322molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_325molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_326molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_327molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_328molecule#node#0#6molecule#node#1#0molecule#node#2#6molecule#node#3#4molecule#node#4#0molecule#edge#0molecule#edge#1g_329molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_330molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_331molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_332molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_333molecule#node#0#11molecule#node#1#0molecule#node#2#7molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1</graph>
|
10,222 |
CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C
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This is a description of a molecule: Plates or scales (from ethanol) or pearly-beige small flakes. (NTP, 1992)
The molecule is a natural product found in Pinus palustris with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_269molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_270molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_271molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_272molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_273molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_274molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_275molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_274molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_276molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_277molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_278molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_279molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_278molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_280molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_278molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_277molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_281molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_282molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_275molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_270molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_271molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_283molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_284molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_283molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_285molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_286molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_269molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
102,290,074 |
C1C(=O)[C@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O
|
This is a description of a molecule: The molecule is a cyclitol that is valiolone in which the the stereochemistry at position 2 has been inverted (from R to S). It has a role as a bacterial metabolite. It is an alicyclic ketone, a cyclitol and a tertiary alcohol. Generate this molecule graph between <graph> </graph>:
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<graph>g_350molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_351molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_352molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_354molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_353molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_356molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_358molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_357molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_359molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_360molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_359molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_351molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_361molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_362molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,230 |
C1=CC=C2C(=C1)C(=NN=C2NN)NN
|
This is a description of a molecule: The molecule is a member of phthalazines.
The molecule is under investigation in clinical trial NCT00311974 (The Effect of Dihydralazine on Kidney Function and Hormones in Healthy Individuals).
1,4-Dihydrazinophthalazine. An antihypertensive agent with actions and uses similar to those of HYDRALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p354) Generate this molecule graph between <graph> </graph>:
|
<graph>g_138molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_140molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_141molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_140molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_147molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_148molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_149molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_150molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_148molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_138molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
102,304,306 |
CC(=O)CC1=CC2=CC(=CC(=C2C(=O)O1)O)O
|
This is a description of a molecule: The molecule is a member of the class of isocoumarins that is 1H-isochromen-1-one substituted by a 2-oxopropyl group at position 3 and by hydroxy groups at positions 6 and 8. It has a role as an Aspergillus metabolite. It is a hexaketide, a member of isocoumarins, a methyl ketone and a member of phenols. Generate this molecule graph between <graph> </graph>:
|
<graph>g_214molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_215molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_216molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_217molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_218molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_218molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_220molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_218molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_217molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_216molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_221molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_222molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_223molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_222molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_224molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_214molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_225molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_226molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_227molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_226molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_228molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_229molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_230molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_229molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_224molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,236 |
C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
|
This is a description of a molecule: Ninhydrin appears as white to light yellow crystals or powder. Becomes anhydrous with reddening at 257-266 °F. (NTP, 1992)
The molecule is a member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. It has a role as a colour indicator and a human metabolite. It is a member of indanones, a beta-diketone, an aromatic ketone and a ketone hydrate.
The molecule is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties. Generate this molecule graph between <graph> </graph>:
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<graph>g_61molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_62molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_63molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_65molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_66molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_67molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_68molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_63molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_69molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_70molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_69molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_71molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_72molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_71molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_73molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_71molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_62molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
102,424 |
C([C@@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O
|
This is a description of a molecule: The molecule is a ketoaldonic acid. It is functionally related to a L-idonic acid and a L-gulonic acid. It is a conjugate acid of a 2-dehydro-L-idonate.
The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
The molecule is a natural product found in Pogostemon cablin with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_140molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_146molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_147molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_144molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_148molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_143molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_142molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_141molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_150molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_150molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_152molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,243 |
C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
|
This is a description of a molecule: The molecule is a quinolinemonocarboxylic acid. It is a conjugate acid of a quinoline-4-carboxylate.
The molecule is a natural product found in Archangium with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_243molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_244molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_245molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_246molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_247molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_246molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_248molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_246molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_245molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_249molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_250molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_251molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_252molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_253molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_254molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_249molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_250molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_255molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_243molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,243,103 |
CC1=C2C(=CC(=C1C(=O)C)O)CC(CC2=O)O
|
This is a description of a molecule: The molecule is a member of the class tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by an acetyl, two hydroxy and methyl groups at positions 7, 3, 6 and 8 respectively. It isolated from Micromonospora and acts as an inhibitor of lipid peroxidation. It has a role as a metabolite and an antioxidant. It is a cyclic ketone, a member of phenols, a secondary alcohol, a methyl ketone, a member of tetralins and an aromatic ketone.
The molecule is a natural product found in Micromonospora, Streptomyces albidoflavus, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_303molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_304molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_305molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_306molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_305molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_307molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_308molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_309molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_308molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_310molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_311molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_312molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_311molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_306molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_313molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_314molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_313molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_315molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_316molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_317molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_316molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_318molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_316molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_315molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_303molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_319molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,243,361 |
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN
|
This is a description of a molecule: The molecule is a homocarnosine that has S configuration. It has a role as a human metabolite. It is a homocarnosine, a N-acyl-L-alpha-amino acid, a L-histidine derivative and a dipeptide. It is a tautomer of a L-homocarnosine zwitterion.
The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Generate this molecule graph between <graph> </graph>:
|
<graph>g_46molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_47molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_48molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_49molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_50molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_51molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_52molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_53molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_54molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_50molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_49molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_48molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_55molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_56molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_57molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_56molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_58molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_59molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_60molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_61molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_60molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_59molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_58molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_56molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_55molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_48molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_47molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_62molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
10,248 |
COC1=CC(=CC(=C1OC)OC)CC=C
|
This is a description of a molecule: The molecule is an olefinic compound.
The molecule is a natural product found in Anemopsis californica, Asarum celsum, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
|
<graph>g_496molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_497molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_498molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_499molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_500molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_501molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_502molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_503molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_502molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_501molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_504molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_505molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_506molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_505molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_504molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_507molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_508molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_509molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_508molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_507molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_510molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_499molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
102,515,514 |
CC1=C(C(=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH3+])N)O
|
This is a description of a molecule: The molecule is zwitterionic form of 3-hydroxy-4-methyl-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3 It is functionally related to a 3-hydroxy-D-kynurenine zwitterion. It is an enantiomer of a 3-hydroxy-4-methyl-L-kynurenine zwitterion. Generate this molecule graph between <graph> </graph>:
|
<graph>g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_86molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_87molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_88molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_87molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_90molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_91molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_91molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_93molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_94molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_86molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_95molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_96molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_98molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_99molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_97molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_96molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_100molecule#node#0#6molecule#node#1#0molecule#node#2#6molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,255 |
CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O
|
This is a description of a molecule: The molecule is a dicarboxylic acid, a pyrrolidinecarboxylic acid, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It has a role as an antinematodal drug and an excitatory amino acid agonist. It is a conjugate acid of a kainate(1-).
The molecule is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. Generate this molecule graph between <graph> </graph>:
|
<graph>g_158molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_159molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_161molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_162molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_161molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_163molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_161molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_164molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_165molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_167molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_168molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_165molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_164molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_169molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_170molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_171molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_170molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_172molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_170molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_169molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_158molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0</graph>
|
10,257 |
CN(C)CCC1=CNC2=C1C=C(C=C2)O
|
This is a description of a molecule: The molecule is a tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. It has a role as a hallucinogen and a coral metabolite. It is a tryptamine alkaloid and a tertiary amine. It is functionally related to a N,N-dimethyltryptamine.
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.
The molecule is a natural product found in Anadenanthera colubrina var. cebil, Anadenanthera, and other organisms with data available.
The molecule is a tryptamine related to the neurotransmitter serotonin. It is an alkaloid found in the skin of some species of toads; in mushrooms, higher plants, and mammals. Bufotenin is a chemical constituent in the venom and eggs of several species of toads belonging to the Bufo genus, but most notably in the Colorado River toad (Bufo alvarius) as it is the only toad species in which bufotenin is present in large enough quantities for a psychoactive effect. Extracts of toad venom, containing bufotenin and other bioactive compounds, have been used in some traditional medicines (probably derived from Bufo gargarizans), which has been used medicinally for centuries in China. Bufotenin is a constituent of the seeds of Anadenanthera colubrina and Anadenanthera peregrina trees. Anadenanthera seeds have been used as an ingredient in psychedelic snuff preparations by indigenous cultures of the Caribbean, Central and South America. The acute toxicity (LD50) of bufotenin in rodents has been estimated at 200 to 300 mg/kg. Death occurs by respiratory arrest.
A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic. Generate this molecule graph between <graph> </graph>:
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<graph>g_391molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_392molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_393molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_396molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_397molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_398molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_397molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_399molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_397molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_396molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_391molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_401molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_402molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_403molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_402molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_404molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_405molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_391molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
102,614 |
C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O
|
This is a description of a molecule: The molecule is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a member of phenols and a nitrile. Generate this molecule graph between <graph> </graph>:
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<graph>g_59molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_60molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_61molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_62molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_63molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_65molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_66molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_67molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_68molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_69molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_70molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_69molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_71molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_72molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_66molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_65molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_74molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_73molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_63molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_75molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_76molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_60molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
|
10,265,811 |
CON1C(C2(CN=C(S2)SC)C3=CC=CC=C31)O
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This is a description of a molecule: The molecule is a member of indoles.
The molecule is a natural product found in Raphanus sativus with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_459molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_460molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_461molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_462molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_463molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_462molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_464molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_465molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_466molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_465molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_464molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_467molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_468molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_469molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_470molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_471molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_472molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_467molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_468molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_461molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_473molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_476molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_475molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_459molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
|
1,028 |
C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
|
This is a description of a molecule: The molecule is an oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1. It has a role as a plant metabolite and an Escherichia coli metabolite. It is a conjugate acid of a prephenate(2-) and a (1s,4s)-prephenate(2-).
The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
The molecule is a natural product found in Neurospora crassa with data available.
The molecule is a metabolite found in or produced by Saccharomyces cerevisiae. Generate this molecule graph between <graph> </graph>:
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<graph>g_434molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_435molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_436molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_437molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_439molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_440molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_442molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_443molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_444molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_445molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_446molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_445molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_447molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_445molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_438molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_437molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_436molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_448molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_436molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_435molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_449molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0</graph>
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10,286 |
C1=CC=C2C(=C1)C(=O)C=CO2
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This is a description of a molecule: The molecule is the simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4. It is a member of chromones and an enone.
The molecule is a natural product found in Myroxylon peruiferum with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_218molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_220molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_221molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_222molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_223molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_224molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_225molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_220molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_221molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_226molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_227molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_228molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_219molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
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10,296 |
CC(C1=CC=CC=C1)C(=O)O
|
This is a description of a molecule: The molecule is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It is functionally related to a phenylacetic acid.
The molecule is a natural product found in Aloe africana, Hoya coronaria, and other organisms with data available. Generate this molecule graph between <graph> </graph>:
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<graph>g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_153molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_154molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_155molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_154molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_156molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_154molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_152molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_157molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_158molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_159molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_160molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_161molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_151molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0</graph>
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