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CHEBI:193549 - 4-Aminophenyl 1-thio-beta-D-glucuronide

ChEBI IDCHEBI:193549
ChEBI Name4-Aminophenyl 1-thio-beta-D-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO6S
Net Charge0
Average Mass301.320
Monoisotopic Mass301.06201
SMILESNc1ccc(SC2OC(C(=O)O)C(O)C(O)C2O)cc1
InChIInChI=1S/C12H15NO6S/c13-5-1-3-6(4-2-5)20-12-9(16)7(14)8(15)10(19-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)
InChIKeyGUCRMDNXKXTARL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
4-Aminophenyl 1-thio-beta-D-glucuronide (CHEBI:193549) is a S-glycosyl compound (CHEBI:35275)
IUPAC Name 
6-(4-aminophenyl)sulanyl-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
2887314ChemSpider