Secondary metabolite:Hexyl salicylate



EOCID001056
Summary

sCentInDB Chemical identifier: EOCID001056

Chemical name: Hexyl salicylate

Molecular formula: C13H18O3

SMILES: CCCCCCOC(=O)c1ccccc1O

InChI: InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3

InChIKey: DUKPKQFHJQGTGU-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzoic acids and derivatives


Synonymous chemical name(s):
hexyl salicylate


External chemical identifier(s):
CID:22629, CHEMBL495972, CHEMSPIDER:21212, ZINC000002034026, FDASRS:8F78EY72YL, MOLPORT:001-789-436, SURECHEMBL:SCHEMBL113059


Spectrabase ID:
5NXpKT8FvYL


Chemical structure download

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