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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\C2=C(C=CC=C2)COC2=C1C=C(O)C=C2
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]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
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

hmdb:HMDB60699 		secondary/obsolete/fantasy identifier