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CHEBI:190842 - Desglucodesrhamnoparillin

ChEBI IDCHEBI:190842
ChEBI NameDesglucodesrhamnoparillin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O13
Net Charge0
Average Mass740.928
Monoisotopic Mass740.43469
SMILESCC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C39H64O13/c1-18-7-12-39(48-16-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)49-36-34(46)32(44)30(42)27(51-36)17-47-35-33(45)31(43)29(41)26(15-40)50-35/h18-36,40-46H,5-17H2,1-4H3
InChIKeyXERVTTUAMKCJIM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Desglucodesrhamnoparillin (CHEBI:190842) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
Manual XrefsDatabases
234219ChemSpider
HMDB0033493HMDB