Secondary metabolite:2-Phenylethyl hexanoate



EOCID001332
Summary

sCentInDB Chemical identifier: EOCID001332

Chemical name: 2-Phenylethyl hexanoate

Molecular formula: C14H20O2

SMILES: CCCCCC(=O)OCCc1ccccc1

InChI: InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3

InChIKey: BUYNWUMUDHPPDS-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Fatty Acyls

Subclass: Fatty acid esters


Synonymous chemical name(s):
phenethyl hexanoate


External chemical identifier(s):
CID:61384, CHEMBL3185758, CHEMSPIDER:55313, ZINC000001850820, FDASRS:X7R57M68KR, MOLPORT:003-960-076, SURECHEMBL:SCHEMBL473563


Spectrabase ID:
DZ1sUqs72bH


Chemical structure download

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