Summary

Molecular formula: C27H40O7
SMILES: OC[C@@]1(C)O[C@H]2C[C@@H]1[C@](C)(CCC(=O)O)C1=C2[C@]2(C)CC[C@@H]([C@]2(CC1=O)C)[C@@H](CCC(=O)O)C
InChI: InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1
InChIKey: IABFUGDOHOVCEJ-MHSARYRJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1CC1COC2C1

Scaffold Graph/Node level:
OC1CC2CCCC2C2C3CC(CO3)CC12

Scaffold Graph level:
CC1CC2CCCC2C2C3CCC(C3)CC12

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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:
fornicatin a

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External chemical identifiers:
CID_11317523; NPATLAS_NPA012071; CHEMSPIDER_9492489; ZINC_ZINC000137481621

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Chemical structure download