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CHEBI:176181 - (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside

ChEBI IDCHEBI:176181
ChEBI Name(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILESCC(O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C
InChIInChI=1S/C27H44O8/c1-13(29)21-19(30)11-18-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,13,15-25,28-33H,5-12H2,1-3H3
InChIKeyMMAFNNBLJJXUCU-UHFFFAOYSA-N
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)
(3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside (CHEBI:176181) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[[16-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0041331HMDB