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CHEBI:3952 - Cucurbitacin Q

ChEBI IDCHEBI:3952
ChEBI NameCucurbitacin Q
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)[C@H](O)C[C@@]3([H])[C@]1(C)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/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,20-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
InChIKeyLMJMTWXDWFWZHV-CWJYERATSA-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 Q (CHEBI:3952) is a cucurbitacin (CHEBI:16219)
Synonym  Source
Cucurbitacin QKEGG COMPOUND
Manual XrefsDatabases
C08805KEGG COMPOUND
C00003693KNApSAcK
Registry NumbersSources
CAS:25383-25-9KEGG COMPOUND