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(E)-2-Hydroxy-N-desmethyldoxepin

PropertiesImage
MNX_IDMNXM149549 Image of MNXM149549
referencechebi:174002
formulaC18H19NO2
global charge0
mol weight281.355
InChIKeyLUWRONBNZDYVBL-FRKPEAEDSA-N
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+
SMILESCNCC/C=C1\c2ccccc2COc2ccc(O)cc21
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM149549
SMILES (mnx)[CH3:1][NH:19][CH2:10][CH2:4]/[CH:7]=[C:16]1\[c:15]2[cH:6][cH:3][cH:2][cH:5][c:13]2[CH2:12][O:21][c:18]2[cH:9][cH:8][c:14]([OH:20])[cH:11][c:17]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174002
chebi:174002
LUWRONBNZDYVBL-FRKPEAEDSA-N 		(E)-2-Hydroxy-N-desmethyldoxepin
(11E)-11-[3-(methylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
hmdb:HMDB0060699
LUWRONBNZDYVBL-FRKPEAEDSA-N 		(E)-2-Hydroxy-N-desmethyldoxepin
(2E)-2-[3-(methylamino)propylidene]-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-ol

vmhM:hdesmdoxe
vmhM:hdesmdoxe
vmhmetabolite:hdesmdoxe
vmhmetabolite:hdesmdoxe
LUWRONBNZDYVBL-FRKPEAEDSA-O 		Hydroxydesmethyl doxepin

hmdb:HMDB60699
vmhM:M_hdesmdoxe 		secondary/obsolete/fantasy identifier