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CHEBI:180735 - Goyaglycoside c

ChEBI IDCHEBI:180735
ChEBI NameGoyaglycoside c
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O9
Net Charge0
Average Mass662.905
Monoisotopic Mass662.43938
SMILES[H][C@@]12C=C[C@@]34OC(OC)[C@]1(CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)C/C=C/C(C)(C)OC)[C@]3([H])CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4(C)C
InChIInChI=1S/C38H62O9/c1-22(11-10-16-33(2,3)44-9)23-14-17-36(7)25-15-18-38-26(37(25,32(43-8)47-38)20-19-35(23,36)6)12-13-27(34(38,4)5)46-31-30(42)29(41)28(40)24(21-39)45-31/h10,15-16,18,22-32,39-42H,11-14,17,19-21H2,1-9H3/b16-10+/t22-,23-,24-,25+,26+,27+,28-,29+,30-,31+,32?,35-,36+,37+,38-/m1/s1
InChIKeyJYKQEJLWLRMCRC-KXCQKKMCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
blood serum (BTO:0000133) MetaboLights (MTBLS2150)
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 c (CHEBI:180735) is a cucurbitacin (CHEBI:16219)
Goyaglycoside c (CHEBI:180735) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-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
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