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CHEBI:187978 - 26-O-[beta-D-glucopyranosyl]-25R-furostan-3beta,22alpha,26-triol

ChEBI IDCHEBI:187978
ChEBI Name26-O-[beta-D-glucopyranosyl]-25R-furostan-3beta,22alpha,26-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O9
Net Charge0
Average Mass596.802
Monoisotopic Mass596.39243
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@](O)(CC[C@@H](C)CO[C@@H]5O[C@H](CO)[C@@H](O)C(O)C5O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27-,28?,29?,30-,31+,32+,33-/m1/s1
InChIKeyFBJYDOQUXQMQSS-GJCQDAQXSA-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)
26-O-[beta-D-glucopyranosyl]-25R-furostan-3beta,22alpha,26-triol (CHEBI:187978) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2R,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
LMST01070001LIPID MAPS
24823316ChemSpider