MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Indeloxazine

	Properties	Image
MNX_ID	MNXM57292
reference	chebi:5894
formula	C₁₄H₁₇NO₂
global charge	0
mol weight	231.295
InChIKey	MADRVGBADLFHMO-UHFFFAOYSA-N
InChI	InChI=1S/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2
SMILES	C1=CC2=C(CC=C2)C(OCC2CNCCO2)=C1

MNX internals

InChI (mnx)	InChI=1/C14H17NO2/c1-3-11-4-2-6-14(13(11)5-1)17-10-12-9-15-7-8-16-12/h1-4,6,12,15H,5,7-10H2/t12?
SMILES (mnx)	[CH:1]1=[CH:3][C:11]2=[CH:4][CH:2]=[CH:6][C:14]([O:17][CH2:10][CH:12]3[CH2:9][NH:15][CH2:7][CH2:8][O:16]3)=[C:13]2[CH2:5]1

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
Identifier	Description
CHEBI:5894 chebi:5894 MADRVGBADLFHMO-UHFFFAOYSA-N	Indeloxazine (+/-)-Indeloxazine indeloxazine HCl indeloxazine hydrochloride
seed.compound:cpd07803 seedM:cpd07803 kegg.compound:C10918 keggC:C10918 MADRVGBADLFHMO-UHFFFAOYSA-N MADRVGBADLFHMO-UHFFFAOYSA-O	Indeloxazine
kegg.drug:D08077 keggD:D08077 MADRVGBADLFHMO-UHFFFAOYSA-N	Indeloxazine (INN)
hmdb:HMDB0253450 MADRVGBADLFHMO-UHFFFAOYSA-N	Indeloxazine (+)-indeloxazine 2-(7-Indenyloxymethyl)morpholine 2-[(1H-inden-7-yloxy)methyl]morpholine Indeloxazine hydrochloride Indeloxazine hydrochloride, (+)-isomer Indeloxazine, (+)-isomer
keggC:M_C10918 keggD:M_D08077 seedM:M_cpd07803	secondary/obsolete/fantasy identifier