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CHEBI:174831 - Phenethylamine glucuronide

ChEBI IDCHEBI:174831
ChEBI NamePhenethylamine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO6
Net Charge0
Average Mass297.307
Monoisotopic Mass297.12124
SMILESO=C(O)[C@H]1O[C@@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H19NO6/c16-9-10(17)12(14(19)20)21-13(11(9)18)15-7-6-8-4-2-1-3-5-8/h1-5,9-13,15-18H,6-7H2,(H,19,20)/t9-,10-,11+,12-,13+/m0/s1
InChIKeyOYNLGXUYULDVEJ-IEECTRCBSA-N
ChEBI Ontology
Outgoing Relation(s)
Phenethylamine glucuronide (CHEBI:174831) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0010323HMDB
C03033KEGG COMPOUND
Beta-D-GlucuronidesMetaCyc
166036ChemSpider
Registry NumbersSources
CAS:51643-42-6ChemIDplus