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CHEBI:169626 - 8-Hydroxydesmethylclomipramine

ChEBI IDCHEBI:169626
ChEBI Name8-Hydroxydesmethylclomipramine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21ClN2O
Net Charge0
Average Mass316.832
Monoisotopic Mass316.13424
SMILESCNCCCN1c2ccc(O)cc2CCc2ccc(Cl)cc21
InChIInChI=1S/C18H21ClN2O/c1-20-9-2-10-21-17-8-7-16(22)11-14(17)4-3-13-5-6-15(19)12-18(13)21/h5-8,11-12,20,22H,2-4,9-10H2,1H3
InChIKeyMRLCQGACIDFFSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
8-Hydroxydesmethylclomipramine (CHEBI:169626) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
9-chloro-11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Manual XrefsDatabases
8194268ChemSpider
HMDB0060803HMDB
Registry NumbersSources
CAS:104061-28-1ChemIDplus