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

Feedback

Tolylacetate

	Properties	Image
MNX_ID	MNXM87436
reference	chebi:9627
formula	C₉H₁₀O₂
global charge	0
mol weight	150.177
InChIKey	CDJJKTLOZJAGIZ-UHFFFAOYSA-N
InChI	InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
SMILES	CC(=O)OC1=CC=C(C)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
SMILES (mnx)	[CH3:1][C:7]1=[CH:4][CH:6]=[C:9]([O:11][C:8]([CH3:2])=[O:10])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd01348 seedM:cpd01348 CHEBI:9627 chebi:9627 kegg.compound:C01963 keggC:C01963 CDJJKTLOZJAGIZ-UHFFFAOYSA-N	Tolylacetate p-Cresyl acetate p-Tolyacetate
sabiork.compound:5915 sabiorkM:5915 CDJJKTLOZJAGIZ-UHFFFAOYSA-N	Tolylacetate 4-Methylphenyl acetate p-Cresyl acetate p-Tolyacetate
envipath:...53c94ed117c9 envipathM:...53c94ed117c9 CDJJKTLOZJAGIZ-UHFFFAOYSA-N	compound 0050260
hmdb:HMDB0032075 CDJJKTLOZJAGIZ-UHFFFAOYSA-N	p-Tolyl acetate (4-Methylphenyl)acetic acid (P-Tolyl)-acetic acid (P-Tolyl)acetic acid 4-Acetoxytoluene 4-Cresyl acetate 4-Methyl-benzeneacetic acid 4-Methylbenzeneacetic acid 4-Methylbenzoic acid methyl ester 4-Methylphenyl acetate 4-Tolyl acetate 4-methylphenyl acetate Acetic acid P-cresyl ester Acetic acid, 4-methylphenyl ester Acetic acid, P-tolyl ester Benzeneacetic acid, 4-methyl- (9ci) Cresyl acetate FEMA 3073 Narceol P-Acetoxytoluene P-Cresol acetate P-Cresyl acetate FCC P-Cresylic acetate P-Methylphenyl acetate P-Methylphenylacetic acid P-Tolyl ethanoate P-Tolylacetic acid Para-cresyl acetate Paracresyl acetate Tolylacetate Tolylacetic acid humibid p-Cresyl acetate p-Cresyl acetic acid p-Tolyacetate p-Tolyacetic acid p-Tolyl acetic acid
hmdb:HMDB32075 keggC:M_C01963 seedM:M_cpd01348	secondary/obsolete/fantasy identifier