Summary

Molecular formula: C25H40O8
SMILES: CCCCOC(=O)[C@@H]([C@@H](C(=O)O)CC(=O)O)OC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@@]2(C)CO
InChI: InChI=1S/C25H40O8/c1-5-6-12-32-23(31)21(17(22(29)30)13-20(27)28)33-14-18-16(2)8-9-19-24(3,15-26)10-7-11-25(18,19)4/h17-19,21,26H,2,5-15H2,1,3-4H3,(H,27,28)(H,29,30)/t17-,18-,19?,21+,24-,25+/m0/s1
InChIKey: VNLMUYUQEVFVJO-DSWISHMVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Tricarboxylic acids and derivatives

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Synonymous chemical names:
cryptoporic acid s

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External chemical identifiers:
CID_139591335; NPATLAS_NPA024173; CHEMSPIDER_78441822

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Chemical structure download