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

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fenobucarb

	Properties	Image
MNX_ID	MNXM53223
reference	chebi:34304
formula	C₁₂H₁₇NO₂
global charge	0
mol weight	207.273
InChIKey	DIRFUJHNVNOBMY-UHFFFAOYSA-N
InChI	InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
SMILES	CCC(C)C1=CC=CC=C1OC(=O)NC

MNX internals

InChI (mnx)	InChI=1/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)/t9?
SMILES (mnx)	[CH3:1][CH2:4][CH:9]([CH3:2])[C:10]1=[CH:7][CH:5]=[CH:6][CH:8]=[C:11]1[O:15][C:12](=[N:13][CH3:3])[OH:14]

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:34304 chebi:34304 DIRFUJHNVNOBMY-UHFFFAOYSA-N	fenobucarb 2-(1-methylpropyl)phenyl methylcarbamate 2-(butan-2-yl)phenyl methylcarbamate 2-sec-Butylphenyl N-methylcarbamate 2-sec-Butylphenyl methylcarbamate BPMC Fenobucarb Methylcarbamic acid o-sec-butylphenyl ester
seed.compound:cpd10124 seedM:cpd10124 DIRFUJHNVNOBMY-UHFFFAOYSA-N	BPMC 2-sec-Butylphenyl N-methylcarbamate Fenobucarb
hmdb:HMDB0252205 DIRFUJHNVNOBMY-UHFFFAOYSA-N	Fenobucarb 2-(1-Methylpropyl)phenyl methylcarbamate 2-(1-Methylpropyl)phenyl methylcarbamic acid 2-(butan-2-yl)phenyl N-methylcarbamate 2-Sec-butylphenyl N-methylcarbamate 2-Sec-butylphenyl N-methylcarbamic acid 2-Sec-butylphenyl methylcarbamate 2-Sec-butylphenyl methylcarbamic acid BPMC Methylcarbamate O-sec-butylphenyl ester Methylcarbamic acid O-sec-butylphenyl ester O-Sec-butylphenyl N-methylcarbamate bassa
kegg.compound:C14425 keggC:C14425 DIRFUJHNVNOBMY-UHFFFAOYSA-N	Fenobucarb 2-sec-Butylphenyl N-methylcarbamate BPMC
keggC:M_C14425 seedM:M_cpd10124	secondary/obsolete/fantasy identifier