Summary

Molecular formula: C30H46O6
SMILES: OC(=O)CC[C@@H]1/C(=C(C(=O)O)/C)/CC[C@@H]2[C@@]1(C)CC[C@]1([C@@]2(C)CC[C@@H]1[C@H](CC/C=C(/C(=O)O)C)C)C
InChI: InChI=1S/C30H46O6/c1-18(8-7-9-19(2)26(33)34)22-14-15-30(6)24-12-10-21(20(3)27(35)36)23(11-13-25(31)32)28(24,4)16-17-29(22,30)5/h9,18,22-24H,7-8,10-17H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)/b19-9+,21-20-/t18-,22+,23+,24+,28-,29+,30-/m0/s1
InChIKey: MLKGNOBMWJPGDM-OYWJSAOISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(CCC3CCCC32)C1

Scaffold Graph/Node level:
CC1CCC2C(CCC3CCCC32)C1

Scaffold Graph level:
CC1CCC2C(CCC3CCCC32)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
(24e)-3,4-seco-cucurbita-4,24-diene-3,26,29-trioic acid, (24e)-3,4-secocucurbita-4,24-diene-3,26,29-trioic acid

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External chemical identifiers:
CID_5316178; NPATLAS_NPA003537; ZINC_ZINC000136669747

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Chemical structure download