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CHEBI:188301 - Physalolactone B 3-glucoside

ChEBI IDCHEBI:188301
ChEBI NamePhysalolactone B 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O11
Net Charge0
Average Mass662.817
Monoisotopic Mass662.36661
SMILESCC(=O)OC1CC(OC2OC(CO)C(O)C(O)C2O)CC2=CCC3C4CCC(C(C)(O)C5CC(C)=C(C)C(=O)O5)C4(C)CCC3C21C
InChIInChI=1S/C36H54O11/c1-17-13-28(47-32(42)18(17)2)36(6,43)26-10-9-23-22-8-7-20-14-21(45-33-31(41)30(40)29(39)25(16-37)46-33)15-27(44-19(3)38)35(20,5)24(22)11-12-34(23,26)4/h7,21-31,33,37,39-41,43H,8-16H2,1-6H3
InChIKeyOWQMNZPAYJJMMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Physalolactone B 3-glucoside (CHEBI:188301) is a glycoside (CHEBI:24400)
Physalolactone B 3-glucoside (CHEBI:188301) is a withanolide (CHEBI:74716)
IUPAC Name 
[17-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate
Manual XrefsDatabases
HMDB0034201HMDB