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CHEBI:3942 - Cucurbitacin C

ChEBI IDCHEBI:3942
ChEBI NameCucurbitacin C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[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/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
InChIKeyDGIGXLXLGBAJJN-TUOUHCSQSA-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 C (CHEBI:3942) is a cucurbitacin (CHEBI:16219)
Synonym  Source
Cucurbitacin CKEGG COMPOUND
Manual XrefsDatabases
C08795KEGG COMPOUND
C00003684KNApSAcK
Registry NumbersSources
CAS:5988-76-1KEGG COMPOUND