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CHEBI:3198 - Bryodulcosigenin

ChEBI IDCHEBI:3198
ChEBI NameBryodulcosigenin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H50O4
Net Charge0
Average Mass474.726
Monoisotopic Mass474.37091
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O)CC[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CCC(O)C(C)(C)O
InChIInChI=1S/C30H50O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-24,31-32,34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23+,24?,28+,29-,30+/m1/s1
InChIKeyFPMQKXQOBKDVHF-ZGUWQJCPSA-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)
Bryodulcosigenin (CHEBI:3198) is a cucurbitacin (CHEBI:16219)
Synonym  Source
BryodulcosigeninKEGG COMPOUND
Manual XrefsDatabases
C08789KEGG COMPOUND
C00003678KNApSAcK
Registry NumbersSources
CAS:4965-97-3KEGG COMPOUND