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CHEBI:168802 - (E)-2-hydroxydoxepin

ChEBI IDCHEBI:168802
ChEBI Name(E)-2-hydroxydoxepin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO2
Net Charge0
Average Mass295.382
Monoisotopic Mass295.15723
SMILESCN(C)CC/C=C1/c2ccccc2COc2ccc(O)cc21
InChIInChI=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-
InChIKeyGRQPGTWGEQWMMM-IUXPMGMMSA-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)
(E)-2-hydroxydoxepin (CHEBI:168802) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
Manual XrefsDatabases
HMDB0060630HMDB
30778576ChemSpider