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CHEBI:184818 - Goyaglycoside g

ChEBI IDCHEBI:184818
ChEBI NameGoyaglycoside g
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H70O14
Net Charge0
Average Mass811.019
Monoisotopic Mass810.47656
SMILESCOC1OC23C=CC4C1(CCC1(C)C(C(C)C/C=C/C(C)(C)OC5OC(CO)C(O)C(O)C5O)CCC41C)C2CCC(OC1OC(CO)C(O)C(O)C1O)C3(C)C
InChIInChI=1S/C43H70O14/c1-22(10-9-15-38(2,3)56-36-34(51)32(49)30(47)25(21-45)54-36)23-13-16-41(7)26-14-17-43-27(42(26,37(52-8)57-43)19-18-40(23,41)6)11-12-28(39(43,4)5)55-35-33(50)31(48)29(46)24(20-44)53-35/h9,14-15,17,22-37,44-51H,10-13,16,18-21H2,1-8H3/b15-9+
InChIKeyNKVQKVICRWILPJ-OQLLNIDSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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 g (CHEBI:184818) is a cucurbitacin (CHEBI:16219)
Goyaglycoside g (CHEBI:184818) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-[[19-methoxy-5,9,17,17-tetramethyl-8-[(E)-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
74886468ChemSpider
HMDB0038350HMDB