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CHEBI:193251 - (25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]

ChEBI IDCHEBI:193251
ChEBI Name(25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O14
Net Charge0
Average Mass756.927
Monoisotopic Mass756.42961
SMILESCC1CCC2(OC1)OC1CC3C4CC(O)C5(O)CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C39H64O14/c1-17-6-11-39(48-16-17)18(2)27-24(53-39)13-23-21-12-26(41)38(47)14-20(7-10-37(38,5)22(21)8-9-36(23,27)4)50-35-32(46)30(44)33(25(15-40)51-35)52-34-31(45)29(43)28(42)19(3)49-34/h17-35,40-47H,6-16H2,1-5H3
InChIKeyGBRQGKIXYHHYOW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
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)
(25S)-Spirostane-3b,5b,6a-triol 3-[4''-rhamnosylglucoside] (CHEBI:193251) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[6-(18,19-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0035488HMDB