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

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phenethyl acetate

	Properties	Image
MNX_ID	MNXM12629
reference	chebi:31988
formula	C₁₀H₁₂O₂
global charge	0
mol weight	164.204
InChIKey	MDHYEMXUFSJLGV-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
SMILES	CC(=O)OCCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
SMILES (mnx)	[CH3:1][C:9](=[O:11])[O:12][CH2:8][CH2:7][C:10]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)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31988 chebi:31988 MDHYEMXUFSJLGV-UHFFFAOYSA-N	phenethyl acetate 2-Phenylethyl acetate 2-phenethyl acetate 2-phenylethyl acetate Phenethyl acetate acetic acid beta-phenylethyl ester acetic acid, 2-phenylethyl ester acetic acid, phenethyl ester benzylcarbinyl acetate beta-phenethyl acetate beta-phenylethyl acetate phenethyl alcohol, acetate
hmdb:HMDB0033945 MDHYEMXUFSJLGV-UHFFFAOYSA-N	2-Phenylethyl acetate 2-Phenethyl acetate 2-Phenethyl acetic acid 2-Phenylethyl acetate, 9ci 2-Phenylethyl acetic acid 2-phenylethyl acetate Acetate b-phenylethyl ester Acetate beta-phenylethyl ester Acetate, 2-phenylethyl ester Acetate, phenethyl ester Acetic acid b-phenylethyl ester Acetic acid beta -phenylethyl ester Acetic acid beta-phenylethyl ester Acetic acid, 2-phenylethyl ester Acetic acid, phenethyl ester Benzylcarbinyl acetate Benzylcarbinyl acetic acid Ethanol, 2-phenyl-, acetate FEMA 2857 Phenethyl acetate Phenethyl acetic acid Phenethyl alcohol, acetate Phenethyl alcohol, acetic acid Phenylethyl acetate Phenylethyl acetate-beta b-Phenethyl acetate b-Phenethyl acetic acid b-Phenylethyl acetate b-Phenylethyl acetic acid beta -Phenethyl acetate beta -Phenylethyl acetate beta-Phenethyl acetate beta-Phenethyl acetic acid beta-Phenylethyl acetate beta-Phenylethyl acetic acid beta-phenethyl acetate beta-phenethyl acetic acid beta-phenylethyl acetate beta-phenylethyl acetic acid phenethyl acetate
bigg.metabolite:pheac biggM:pheac	Phenethyl acetate
kegg.compound:C12303 keggC:C12303 MDHYEMXUFSJLGV-UHFFFAOYSA-N	Phenethyl acetate 2-Phenylethyl acetate
seed.compound:cpd09075 seedM:cpd09075 MDHYEMXUFSJLGV-UHFFFAOYSA-N	Phenethyl acetate 2-Phenylethyl acetate 2-phenylethyl acetate 2-phenylethyl ester beta-phenylethyl acetate pheac phenylethyl acetate
SLM:000389172 slm:000389172 MDHYEMXUFSJLGV-UHFFFAOYSA-N	phenethyl acetate
metacyc.compound:CPD-14529 metacycM:CPD-14529 MDHYEMXUFSJLGV-UHFFFAOYSA-N	phenylethyl acetate 2-phenylethyl acetate 2-phenylethyl ester beta-phenylethyl acetate
hmdb:HMDB33945 biggM:M_pheac keggC:M_C12303 seedM:M_cpd09075	secondary/obsolete/fantasy identifier