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

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acetophenone

	Properties	Image
MNX_ID	MNXM1719
reference	chebi:27632
formula	C₈H₈O
global charge	0
mol weight	120.151
InChIKey	KWOLFJPFCHCOCG-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
SMILES	CC(=O)C1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
SMILES (mnx)	[CH3:1][C:7]([C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-879294 reactomeM:R-ALL-879294 CHEBI:27632 chebi:27632 KWOLFJPFCHCOCG-UHFFFAOYSA-N	acetophenone 1-Phenylethanone 1-phenylethan-1-one 1-phenylethanone Acetophenone Acetylbenzene Methyl phenyl ketone Phenyl methyl ketone benzoyl methide
envipath:...76e84eeb5ec8 envipathM:...76e84eeb5ec8 KWOLFJPFCHCOCG-UHFFFAOYSA-N	Acetophenone
hmdb:HMDB0033910 KWOLFJPFCHCOCG-UHFFFAOYSA-N	Acetophenone 1-Phenyl-1-ethanone 1-Phenyl-ethanone 1-Phenylethan-1-one 1-Phenylethanone 1-Phenylethanone (acetophenone) 1-Phenylethanone, 9ci 1-phenylethan-1-one Acetofenon Acetophenon Acetyl-benzene Acetylbenzene Acetylbenzol Benzoyl methide Benzoylmethide Dymex FEMA 2009 Hypnon Hypnone Ketone, methyl phenyl Methyl phenyl ketone Methyl phenyl-ketone Methylphenylketone Nchem.180-comp5 Phenyl Phenyl methyl ketone Phenylethanone Phenylmethylketone acetophenone alpha-Acetophenone
sabiork.compound:9230 sabiorkM:9230 kegg.compound:C07113 keggC:C07113 KWOLFJPFCHCOCG-UHFFFAOYSA-N	Acetophenone 1-Phenylethanone Acetylbenzene Methyl phenyl ketone Phenyl methyl ketone
seed.compound:cpd04385 seedM:cpd04385 KWOLFJPFCHCOCG-UHFFFAOYSA-N	Acetophenone 1-Phenylethanone Acetylbenzene Methyl phenyl ketone Phenyl methyl ketone acetophenone methylphenylketone phenylmethylketone
vmhM:abnzn vmhmetabolite:abnzn KWOLFJPFCHCOCG-UHFFFAOYSA-N	Acetylbenzene 1-phenylethan-1-one
metacyc.compound:PHENYL metacycM:PHENYL KWOLFJPFCHCOCG-UHFFFAOYSA-N	acetophenone methylphenylketone phenylmethylketone
envipath:...16419cb74022 envipathM:...16419cb74022 KWOLFJPFCHCOCG-UHFFFAOYSA-N	compound 0039017
hmdb:HMDB33910 chebi:22186 chebi:2403 chebi:40490 keggC:M_C07113 seedM:M_cpd04385 vmhM:M_abnzn	secondary/obsolete/fantasy identifier