Summary

Molecular formula: C21H32O7
SMILES: OC(=O)C[C@@H]([C@H](C(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C)C(=O)O
InChI: InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h13-15,17H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14-,15-,17+,21+/m0/s1
InChIKey: AFCITBAGIYUEPK-YIBSWQHHSA-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 h

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External chemical identifiers:
CID_101602283; NPATLAS_NPA012849; CHEMSPIDER_78439759; ZINC_ZINC000238782414

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Chemical structure download