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CHEBI:166586 - N-Acetylserotonin glucuronide

ChEBI IDCHEBI:166586
ChEBI NameN-Acetylserotonin glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2O8
Net Charge0
Average Mass394.380
Monoisotopic Mass394.13762
SMILESCC(=O)NCCc1cnc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc12
InChIInChI=1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)/t13-,14-,15+,16-,18+/m0/s1
InChIKeyDRKQFNYKSNWOTC-RNGZQALNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Acetylserotonin glucuronide (CHEBI:166586) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
22568543ChemSpider
Registry NumbersSources
CAS:18430-06-3ChemIDplus