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

Feedback

phenyl acetate

	Properties	Image
MNX_ID	MNXM737266
reference	chebi:8082
formula	C₈H₈O₂
global charge	0
mol weight	136.15
InChIKey	IPBVNPXQWQGGJP-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
SMILES	CC(=O)OC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
SMILES (mnx)	[CH3:1][C:7](=[O:9])[O:10][C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-177153 reactomeM:R-ALL-177153 CHEBI:8082 chebi:8082 IPBVNPXQWQGGJP-UHFFFAOYSA-N	phenyl acetate Acetic acid,phenyl ester Acetylphenol Phenol acetate Phenyl acetate
sabiork.compound:2090 sabiorkM:2090 IPBVNPXQWQGGJP-UHFFFAOYSA-N	2-Phenyl acetate
seed.compound:cpd00430 seedM:cpd00430 IPBVNPXQWQGGJP-UHFFFAOYSA-N	PACT Acetic acid,phenyl ester Acetylphenol Benzeneacetiic acid C15583 Phenyl acetate Phenylacetic acid Phenylaceticacid pac
kegg.compound:C15583 keggC:C15583 IPBVNPXQWQGGJP-UHFFFAOYSA-N	Phenyl acetate
hmdb:HMDB0040733 IPBVNPXQWQGGJP-UHFFFAOYSA-N	Phenyl acetate Acetate,phenyl ester Acetates Acetic acid phenyl ester Acetic acid, phenyl ester Acetic acid,phenyl ester Acetoxybenzene Acetyl phenol Acetylphenol FEMA 3958 Fenylester kyseliny octove Phenol acetate Phenol acetic acid Phenyl acetic acid Phenyl ester OF acetic acid phenyl acetate
kegg.compound:C00548 keggC:C00548 IPBVNPXQWQGGJP-UHFFFAOYSA-N	Phenyl acetate Acetic acid,phenyl ester Acetylphenol
envipath:...d43be0f32c2b envipathM:...d43be0f32c2b IPBVNPXQWQGGJP-UHFFFAOYSA-N	compound 0039019
metacyc.compound:CPD-22363 metacycM:CPD-22363 IPBVNPXQWQGGJP-UHFFFAOYSA-N	phenyl acetate acetic acid,phenyl ester acetylphenol phenol acetate
hmdb:HMDB40733 keggC:M_C00548 keggC:M_C15583 seedM:M_cpd00430	secondary/obsolete/fantasy identifier