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CHEBI:185936 - 6-sulfatoxymelatonin

ChEBI IDCHEBI:185936
ChEBI Name6-sulfatoxymelatonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O6S
Net Charge0
Average Mass328.346
Monoisotopic Mass328.07291
SMILESCOc1cc2c(CCNC(C)=O)cnc2cc1OS(=O)(=O)O
InChIInChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)
InChIKeyQQEILXDLZRLTME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-sulfatoxymelatonin (CHEBI:185936) is a acetamides (CHEBI:22160)
IUPAC Name 
[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0041815HMDB
58606ChemSpider
Registry NumbersSources
CAS:2208-40-4ChemIDplus