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CHEBI:167752 - 4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside

ChEBI IDCHEBI:167752
ChEBI Name4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O8
Net Charge0
Average Mass328.317
Monoisotopic Mass328.11582
SMILESCC(=O)c1c(C)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C15H20O8/c1-6-3-8(4-9(18)11(6)7(2)17)22-15-14(21)13(20)12(19)10(5-16)23-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1
InChIKeyCFJLERBDXYGARW-TVKJYDDYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside (CHEBI:167752) is a glycoside (CHEBI:24400)
IUPAC Name 
1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Manual XrefsDatabases
29814284ChemSpider