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CHEBI:3940 - Cucurbitacin A

ChEBI IDCHEBI:3940
ChEBI NameCucurbitacin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H46O9
Net Charge0
Average Mass574.711
Monoisotopic Mass574.31418
SMILES[H][C@@]12CC=C3C(C)(C)C(=O)[C@@H](O)C[C@@]3([H])[C@]1(CO)C(=O)C[C@@]1(C)[C@@]2(C)C[C@@H](O)[C@]1([H])[C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O
InChIInChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKeyIHTCCHVMPGDDSL-IVNGUWCNSA-N
Roles Classification
Biological Role:
allelochemical  A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
ChEBI Ontology
Outgoing Relation(s)
Cucurbitacin A (CHEBI:3940) is a cucurbitacin (CHEBI:16219)
Synonym  Source
Cucurbitacin AKEGG COMPOUND
Manual XrefsDatabases
C08793KEGG COMPOUND
C00003682KNApSAcK
Registry NumbersSources
CAS:6040-19-3KEGG COMPOUND