Summary

Molecular formula: C30H40O8
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)OC)[C@@H](CC1=O)[C@]1(C)OC1
InChI: InChI=1S/C30H40O8/c1-7-17(31)8-13-28(4)19-9-12-27(3)22-18(32)14-20(29(5)15-37-29)26(2,11-10-21(33)36-6)23(22)24(34)25(35)30(19,27)16-38-28/h19-20H,7-16H2,1-6H3/t19-,20-,26+,27+,28+,29-,30+/m1/s1
InChIKey: RHYMEQIZAITVCZ-JTJVRMFXSA-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 acid esters

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Synonymous chemical names:
ganoboninone b

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External chemical identifiers:
CID_122370815; NPATLAS_NPA016298; CHEMSPIDER_78438229

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Chemical structure download