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CHEBI:186851 - 6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol

ChEBI IDCHEBI:186851
ChEBI Name6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H58O9
Net Charge0
Average Mass610.829
Monoisotopic Mass610.40808
SMILES[H][C@@]12C[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](CC)[C@@H](O[C@@]3(C)CC[C@@H](C)CO3)C[C@@]21[H]
InChIInChI=1S/C34H58O9/c1-6-21-26(43-34(5)12-7-18(2)17-40-34)15-23-20-14-25(41-31-30(39)29(38)28(37)27(16-35)42-31)24-13-19(36)8-10-33(24,4)22(20)9-11-32(21,23)3/h18-31,35-39H,6-17H2,1-5H3/t18-,19+,20-,21+,22+,23+,24-,25+,26+,27?,28-,29+,30?,31-,32-,33-,34+/m1/s1
InChIKeyKGYZXPBLSHLNAJ-MHPQWQMASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol (CHEBI:186851) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2R,4S,5S)-2-[[(3S,5S,6S,8R,9S,10R,13S,14S,16S,17R)-16-[(2S,5R)-2,5-dimethyloxan-2-yl]oxy-17-ethyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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