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CHEBI:230170 - Russelioside B

ChEBI IDCHEBI:230170
ChEBI NameRusselioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O17
Net Charge0
Average Mass818.951
Monoisotopic Mass818.43000
SMILESCOC1C(O)C(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(CO)C(O)C(O)C5O)CCC43O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C40H66O17/c1-17(52-35-30(47)28(45)26(43)24(15-41)55-35)21-10-13-40(50)23-7-6-19-14-20(8-11-38(19,3)22(23)9-12-39(21,40)4)54-37-32(49)34(51-5)33(18(2)53-37)57-36-31(48)29(46)27(44)25(16-42)56-36/h6,17-18,20-37,41-50H,7-16H2,1-5H3
InChIKeyZIRUZIJLGKNREM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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)
Russelioside B (CHEBI:230170) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[5-hydroxy-6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0257365HMDB