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CHEBI:232973 - carbamazepine N-glucuronide

ChEBI IDCHEBI:232973
ChEBI Namecarbamazepine N-glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H20N2O7
Net Charge0
Average Mass412.398
Monoisotopic Mass412.12705
SMILESO=C(O)[C@H]1OC(NC(=O)N2c3ccccc3C=Cc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20N2O7/c24-15-16(25)18(20(27)28)30-19(17(15)26)22-21(29)23-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)23/h1-10,15-19,24-26H,(H,22,29)(H,27,28)/t15-,16-,17+,18-,19?/m0/s1
InChIKeyVKZWFMGCAPKSML-BMMZCLLGSA-N
ChEBI Ontology
Outgoing Relation(s)
carbamazepine N-glucuronide (CHEBI:232973) is a dibenzooxazepine (CHEBI:53802)
Manual XrefsDatabases
HMDB0242156HMDB