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

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Eduline

	Properties	Image
MNX_ID	MNXM125191
reference	hmdb:HMDB0040597
formula	C₁₇H₁₅NO₂
global charge	0
mol weight	265.312
InChIKey	GFUAPSNFZWUMBP-UHFFFAOYSA-N
InChI	InChI=1S/C17H15NO2/c1-18-15-9-8-13(20-2)10-14(15)17(19)11-16(18)12-6-4-3-5-7-12/h3-11H,1-2H3
SMILES	COC1=CC2=C(C=C1)N(C)C(C1=CC=CC=C1)=CC2=O

MNX internals

InChI (mnx)	InChI=1/C17H15NO2/c1-18-15-9-8-13(20-2)10-14(15)17(19)11-16(18)12-6-4-3-5-7-12/h3-11H,1-2H3
SMILES (mnx)	[CH3:1][N:18]1[C:15]2=[C:14]([CH:10]=[C:13]([O:20][CH3:2])[CH:8]=[CH:9]2)[C:17](=[O:19])[CH:11]=[C:16]1[C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]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
hmdb:HMDB0040597 GFUAPSNFZWUMBP-UHFFFAOYSA-N	Eduline 6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone, 9ci 6-methoxy-1-methyl-2-phenyl-1,4-dihydroquinolin-4-one 6-methoxy-1-methyl-2-phenylquinolin-4-one O-Butyrotoluidide O-Butyrotoluidine
hmdb:HMDB40597	secondary/obsolete/fantasy identifier