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CHEBI:192108 - (15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside]

ChEBI IDCHEBI:192108
ChEBI Name(15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O14
Net Charge0
Average Mass698.803
Monoisotopic Mass698.35136
SMILESCC(=O)OCC1OC(OC(C)C2CC(O)C3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3
InChIKeyUXRVDKWULKVYPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
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)
(15a,20R)-Dihydroxypregn-4-en-3-one 20-[glucosyl-(1->4)-6-acetyl-glucoside] (CHEBI:192108) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[4,5-dihydroxy-6-[1-(15-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0033168HMDB