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CHEBI:167579 - 2-Phenylethanol glucuronide

Default Structure
ChEBI IDCHEBI:167579
ChEBI Name2-Phenylethanol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7
Net Charge0
Average Mass298.291
Monoisotopic Mass298.10525
SMILESO=C(O)[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1
InChIKeyHIXLLXLCNONZRH-BYNIDDHOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) skeletal muscle satellite cell (BTO:0005787) MetaboLights (MTBLS1779) Strain: C57BL/6 [EFO:0004472]
ChEBI Ontology
Outgoing Relation(s)
2-Phenylethanol glucuronide (CHEBI:167579) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
30776590ChemSpider
Beta-D-GlucuronidesMetaCyc
C03033KEGG COMPOUND
HMDB0010350HMDB