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CHEBI:174002 - (E)-2-Hydroxy-N-desmethyldoxepin

ChEBI IDCHEBI:174002
ChEBI Name(E)-2-Hydroxy-N-desmethyldoxepin
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FormulaC18H19NO2
Net Charge0
Average Mass281.355
Monoisotopic Mass281.14158
SMILESCNCC/C=C1\c2ccccc2COc2ccc(O)cc21
InChIInChI=1S/C18H19NO2/c1-19-10-4-7-16-15-6-3-2-5-13(15)12-21-18-9-8-14(20)11-17(16)18/h2-3,5-9,11,19-20H,4,10,12H2,1H3/b16-7+
InChIKeyLUWRONBNZDYVBL-FRKPEAEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-2-Hydroxy-N-desmethyldoxepin (CHEBI:174002) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(11E)-11-[3-(methylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
Manual XrefsDatabases
HMDB0060699HMDB
30778579ChemSpider