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CHEBI:145221 - cotinine glucuronide

ChEBI IDCHEBI:145221
ChEBI Namecotinine glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC16H20N2O7
Net Charge0
Average Mass352.343
Monoisotopic Mass352.12705
SMILESCN1C(=O)CCC1c1ccc[n+](C2OC(C(=O)[O-])C(O)C(O)C2O)c1
InChIInChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3
InChIKeyXWZCZWKUGIQPJD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cotinine glucuronide (CHEBI:145221) is a N-glycosyl compound (CHEBI:21731)
Manual XrefsDatabases
HMDB0001013HMDB