Summary

Molecular formula: C29H38O8
SMILES: CCC(=O)CC[C@]1(C)OC[C@]23[C@@H]1CC[C@@]3(C)C1=C(C(=O)C2=O)[C@@](C)(CCC(=O)O)[C@@H](CC1=O)[C@@]1(C)CO1
InChI: InChI=1S/C29H38O8/c1-6-16(30)7-12-27(4)18-8-11-26(3)21-17(31)13-19(28(5)14-36-28)25(2,10-9-20(32)33)22(21)23(34)24(35)29(18,26)15-37-27/h18-19H,6-15H2,1-5H3,(H,32,33)/t18-,19-,25+,26+,27+,28-,29+/m1/s1
InChIKey: ASUPBUQSWCPYPH-HDXHAILPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(C2CO2)CC2=C1C1CCC3COCC31C(=O)C2=O

Scaffold Graph/Node level:
OC1CC(C2CO2)CC2C(O)C(O)C34COCC3CCC4C12

Scaffold Graph level:
CC1CC(C2CC2)CC2C(C)C(C)C34CCCC3CCC4C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Fatty Acyls
Sub class: Fatty acids and conjugates

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Synonymous chemical names:
ganoboninone a

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External chemical identifiers:
NPATLAS_NPA015990; CHEMSPIDER_78438198

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Chemical structure download