Summary

Molecular formula: C34H50O9
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)C[C@@H]([C@]12C[C@@H](O)[C@]2([C@@](C1=O)(C)CC[C@@H]2[C@@H](C[C@@H]1OC(=O)C(=C1C)C)C)C)O)C
InChI: InChI=1S/C34H50O9/c1-17(13-21-18(2)19(3)28(40)42-21)20-9-11-32(7)29(41)34(16-24(36)33(20,32)8)23(35)14-22-30(4,5)25(10-12-31(22,34)6)43-27(39)15-26(37)38/h17,20-25,35-36H,9-16H2,1-8H3,(H,37,38)/t17-,20-,21+,22+,23+,24-,25-,31+,32+,33+,34-/m1/s1
InChIKey: UDBAOVMCUDEARR-WEEUIZGTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(CCC2CCC3C(=O)C4(CCC5CCCCC54)CCC23)O1

Scaffold Graph/Node level:
OC1CCC(CCC2CCC3C2CCC2(CCC4CCCCC42)C3O)O1

Scaffold Graph level:
CC1CCC(CCC2CCC3C2CCC2(CCC4CCCCC42)C3C)C1

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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:
officimalonic acid a

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External chemical identifiers:
CID_139586140; CHEMSPIDER_78443402

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Chemical structure download