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CHEBI:187926 - 6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol

ChEBI IDCHEBI:187926
ChEBI Name6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha,23S-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H58O10
Net Charge0
Average Mass626.828
Monoisotopic Mass626.40300
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)OC[C@H](C)CC3O)C[C@@]21[H]
InChIInChI=1S/C34H58O10/c1-6-20-25(44-34(5)27(37)11-17(2)16-41-34)14-22-19-13-24(42-31-30(40)29(39)28(38)26(15-35)43-31)23-12-18(36)7-9-33(23,4)21(19)8-10-32(20,22)3/h17-31,35-40H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,24+,25+,26?,27?,28-,29+,30?,31-,32-,33-,34+/m1/s1
InChIKeyPMGFDDDWKVDFAG-FITMEACESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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,23S-triol (CHEBI:187926) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2R,4S,5S)-2-[[(3S,5S,6S,8R,9S,10R,13S,14S,16S,17R)-17-ethyl-3-hydroxy-16-[(2S,5R)-3-hydroxy-2,5-dimethyloxan-2-yl]oxy-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
Manual XrefsDatabases
LMST01080070LIPID MAPS