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CHEBI:176467 - beta-Glucopyranosyl anthranilate

ChEBI IDCHEBI:176467
ChEBI Namebeta-Glucopyranosyl anthranilate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO7
Net Charge0
Average Mass299.279
Monoisotopic Mass299.10050
SMILESNc1ccccc1C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[a2122h-1b_1-5_1*OC(CCCCCC$4/5)N/3=O]/1/
InChIInChI=1S/C13H17NO7/c14-7-4-2-1-3-6(7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2/t8-,9-,10+,11-,13+/m1/s1
InChIKeyGTQKOJVFDJDUGN-HMUNZLOLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
beta-Glucopyranosyl anthranilate (CHEBI:176467) is a hexose (CHEBI:18133)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-aminobenzoate
Manual XrefsDatabases
23255191ChemSpider