(E)-2-hydroxydoxepin (CHEBI:168802)

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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	(E)-2-hydroxydoxepin

ChEBI ID	CHEBI:168802

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H21NO2

Net Charge

Average Mass

295.382

Monoisotopic Mass

295.15723

InChI

InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8-

InChIKey

GRQPGTWGEQWMMM-IUXPMGMMSA-N

SMILES

O1CC=2C(/C(/C3=C1C=CC(O)=C3)=C/CCN(C)C)=CC=CC2

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	(E)-2-hydroxydoxepin (CHEBI:168802) is a dibenzooxazepine (CHEBI:53802)

IUPAC Name

(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol