Secondary metabolite:Phenethyl acetate



EOCID000094
Summary

sCentInDB Chemical identifier: EOCID000094

Chemical name: Phenethyl acetate

Molecular formula: C10H12O2

SMILES: CC(=O)OCCc1ccccc1

InChI: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass:

Synonymous chemical name(s):
2-phenylethyl acetate, phenyl ethyl acetate, 2-phenyl ethyl acetate, 2-phenylethyl acetate(e)- and (z)-phenyl-

External chemical identifier(s):
CID:7654, CHEMBL3184025, CHEBI:31988, CHEMSPIDER:21105987, ZINC000000388671, FDASRS:67733846OW, MOLPORT:002-317-261, SURECHEMBL:SCHEMBL111422

Spectrabase ID: AWYNGqXu0RY

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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