Summary

Molecular formula: C22H34O7
SMILES: COC(=O)[C@H]([C@H](C(=O)OC)CC(=O)O)O[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCCC2(C)C
InChI: InChI=1S/C22H34O7/c1-13-8-9-15-21(2,3)10-7-11-22(15,4)18(13)29-17(20(26)28-6)14(12-16(23)24)19(25)27-5/h14-15,17-18H,1,7-12H2,2-6H3,(H,23,24)/t14-,15+,17+,18+,22+/m1/s1
InChIKey: KKBSYSFIUSBXPW-CCYWLQMISA-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 a

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External chemical identifiers:
NPATLAS_NPA019577; CHEMSPIDER_10203155; ZINC_ZINC000238773150

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Chemical structure download