Didesmethyl doxepin (CHEBI:192203)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Didesmethyl doxepin

ChEBI ID	CHEBI:192203

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H17NO

Net Charge

Average Mass

251.329

Monoisotopic Mass

251.13101

InChI

InChI=1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/b15-9+

InChIKey

HLUSHBJOSPBFOC-OQLLNIDSSA-N

SMILES

O1CC=2C(/C(/C=3C1=CC=CC3)=C\CCN)=CC=CC2

Metabolite of Species	Details
Marine plankton environmental sample (NCBI:txid632957)	Found in endometabolome (MTBLS:000125). See: MetaboLights Study

ChEBI Ontology
Outgoing	Didesmethyl doxepin (CHEBI:192203) is a dibenzooxazepine (CHEBI:53802)

IUPAC Name

(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine