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CHEBI:186264 - 2-Hydroxy-desipramine glucuronide

ChEBI IDCHEBI:186264
ChEBI Name2-Hydroxy-desipramine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30N2O7
Net Charge0
Average Mass458.511
Monoisotopic Mass458.20530
SMILESCNCCCN1c2ccccc2CCc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc21
InChIInChI=1S/C24H30N2O7/c1-25-11-4-12-26-17-6-3-2-5-14(17)7-8-15-13-16(9-10-18(15)26)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h2-3,5-6,9-10,13,19-22,24-25,27-29H,4,7-8,11-12H2,1H3,(H,30,31)/t19-,20-,21+,22-,24+/m0/s1
InChIKeyXJHAOJJEVSPMBA-QMDPOKHVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-Hydroxy-desipramine glucuronide (CHEBI:186264) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
30778581ChemSpider
HMDB0060716HMDB
Registry NumbersSources
CAS:25521-31-7ChemIDplus