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CHEBI:9229 - Spinoside A

ChEBI IDCHEBI:9229
ChEBI NameSpinoside A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC39H56O12
Net Charge0
Average Mass716.865
Monoisotopic Mass716.37718
SMILES[H][C@@]12CC=C3C(C)(C)C(=O)C(O)=C[C@@]3([H])[C@]1(C)CC[C@@]1(C)[C@@]2(C)C[C@@H](O[C@@H]2OC[C@H](OC(C)=O)[C@H](O)[C@H]2OC(C)=O)[C@]1([H])[C@@](C)(O)C(=O)/C=C/C(C)(C)O
InChIInChI=1S/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1
InChIKeyUODJOGKPOAZZHT-OCCINUARSA-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)
Spinoside A (CHEBI:9229) is a cucurbitacin (CHEBI:16219)
Spinoside A (CHEBI:9229) is a glycoside (CHEBI:24400)
Synonym  Source
Spinoside AKEGG COMPOUND
Manual XrefsDatabases
C08809KEGG COMPOUND
Registry NumbersSources
CAS:119626-74-3KEGG COMPOUND