Summary

Molecular formula: C32H42O7
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]2([C@]1(C)C1=C(CC2)C=C2C(CC1)(O)C(C)(C)OC(=O)C=C2)C)[C@@H](C1CC=C(C(=O)O1)C)C
InChI: InChI=1S/C32H42O7/c1-18-8-10-25(38-28(18)35)19(2)24-17-26(37-20(3)33)31(7)23-13-15-32(36)22(9-11-27(34)39-29(32,4)5)16-21(23)12-14-30(24,31)6/h8-9,11,16,19,24-26,36H,10,12-15,17H2,1-7H3/t19-,24+,25?,26+,30+,31+,32?/m0/s1
InChIKey: XJXZBYGMEHOTKU-CNSMAIHUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CC3=C(CCC2CO1)C1CCC(CC2CC=CC(=O)O2)C1CC3

Scaffold Graph/Node level:
OC1CCC2CC3CCC4C(CC5CCCC(O)O5)CCC4C3CCC2CO1

Scaffold Graph level:
CC1CCC2CCC3C(CCC4C(CC5CCCC(C)C5)CCC43)CC2CC1

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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:
colossolactone g

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External chemical identifiers:
CID_10187119; CHEMSPIDER_8362621

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Chemical structure download