Summary

Molecular formula: C29H48O8
SMILES: CCCCOC(=O)[C@H]([C@H](C(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)CO)CC(=O)OCCCC
InChI: InChI=1S/C29H48O8/c1-6-8-15-35-24(31)17-21(27(34)36-16-9-7-2)25(26(32)33)37-18-22-20(3)11-12-23-28(4,19-30)13-10-14-29(22,23)5/h21-23,25,30H,3,6-19H2,1-2,4-5H3,(H,32,33)/t21-,22-,23-,25+,28-,29+/m0/s1
InChIKey: SXVSSYHDQPCPKI-KXZOCZCFSA-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 r

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External chemical identifiers:
CID_132556685; NPATLAS_NPA001158; CHEMSPIDER_78441973

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Chemical structure download