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CHEBI:175698 - Doxepin N-oxide glucuronide

ChEBI IDCHEBI:175698
ChEBI NameDoxepin N-oxide glucuronide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30NO8
Net Charge+1
Average Mass472.514
Monoisotopic Mass472.19659
SMILESC[N+](C)(CC/C=C1\c2ccccc2COc2ccccc21)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H29NO8/c1-26(2,34-25-22(29)20(27)21(28)23(33-25)24(30)31)13-7-11-17-16-9-4-3-8-15(16)14-32-19-12-6-5-10-18(17)19/h3-6,8-12,20-23,25,27-29H,7,13-14H2,1-2H3/p+1/b17-11+/t20-,21-,22+,23-,25-/m0/s1
InChIKeyNLZMYODDTAMNJM-GOSZAKIASA-O
ChEBI Ontology
Outgoing Relation(s)
Doxepin N-oxide glucuronide (CHEBI:175698) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
[(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-dimethylazanium
Manual XrefsDatabases
30778635ChemSpider
HMDB0061139HMDB