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CHEBI:176010 - Melatonin glucuronide

ChEBI IDCHEBI:176010
ChEBI NameMelatonin glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O8
Net Charge0
Average Mass408.407
Monoisotopic Mass408.15327
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2C1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C19H24N2O8/c1-9(22)20-6-5-10-8-21(13-4-3-11(28-2)7-12(10)13)18-16(25)14(23)15(24)17(29-18)19(26)27/h3-4,7-8,14-18,23-25H,5-6H2,1-2H3,(H,20,22)(H,26,27)
InChIKeyGXNGLFUTEZJKRQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Melatonin glucuronide (CHEBI:176010) is a N-glycosyl compound (CHEBI:21731)
Melatonin glucuronide (CHEBI:176010) is a indoles (CHEBI:24828)
IUPAC Name 
6-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060830HMDB
35031798ChemSpider