Secondary metabolite:Methyl Salicylate



EOCID000804
Summary

sCentInDB Chemical identifier: EOCID000804

Chemical name: Methyl Salicylate

Molecular formula: C8H8O3

SMILES: COC(=O)c1ccccc1O

InChI: InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3

InChIKey: OSWPMRLSEDHDFF-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzoic acids and derivatives


Synonymous chemical name(s):
methyl 2-hydroxyl-benzoate, 2-hydroxybenzoic acid methyl ester, betula, methyl salicylate, benzoic acid,2-hydroxy,methyl ester, 2-hydroxy-,methyl ester benzoic acid


External chemical identifier(s):
CID:4133, CHEMBL108545, CHEBI:31832, CHEMSPIDER:13848808, ZINC000000000490, FDASRS:LAV5U5022Y, MOLPORT:001-783-865, SURECHEMBL:SCHEMBL5312


Spectrabase ID:
AVV89bjWcMC


Chemical structure download

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