Summary

Molecular formula: C25H38O9
SMILES: COC(=O)[C@@H]([C@@H](C(=O)OC)CC(=O)O)OC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)COC(=O)C
InChI: InChI=1S/C25H38O9/c1-15-8-9-19-24(3,14-34-16(2)26)10-7-11-25(19,4)18(15)13-33-21(23(30)32-6)17(12-20(27)28)22(29)31-5/h17-19,21H,1,7-14H2,2-6H3,(H,27,28)/t17-,18-,19-,21+,24-,25+/m0/s1
InChIKey: YCMMTUWPAORXSO-WBQFFAPVSA-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: Tetracarboxylic acids and derivatives

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Synonymous chemical names:
cryptoporic acid q

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External chemical identifiers:
CID_102232670; NPATLAS_NPA004483; CHEMSPIDER_78436766

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Chemical structure download