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CHEBI:176277 - Goyaglycoside a

ChEBI IDCHEBI:176277
ChEBI NameGoyaglycoside a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H60O9
Net Charge0
Average Mass648.878
Monoisotopic Mass648.42373
SMILESCOC1OC23C=CC4C1(CCC1(C)C(C(C)C/C=C/C(C)(C)O)CCC41C)C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C
InChIInChI=1S/C37H60O9/c1-21(10-9-15-32(2,3)42)22-13-16-35(7)24-14-17-37-25(36(24,31(43-8)46-37)19-18-34(22,35)6)11-12-26(33(37,4)5)45-30-29(41)28(40)27(39)23(20-38)44-30/h9,14-15,17,21-31,38-42H,10-13,16,18-20H2,1-8H3/b15-9+
InChIKeyVTWHHBJKZZJDQM-OQLLNIDSSA-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)
Goyaglycoside a (CHEBI:176277) is a cucurbitacin (CHEBI:16219)
Goyaglycoside a (CHEBI:176277) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-[[8-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038348HMDB
74886466ChemSpider