Secondary metabolite:Methyl octanoate



EOCID000802
Summary

sCentInDB Chemical identifier: EOCID000802

Chemical name: Methyl octanoate

Molecular formula: C9H18O2

SMILES: CCCCCCCC(=O)OC

InChI: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

InChIKey: JGHZJRVDZXSNKQ-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Fatty Acyls

Subclass: Fatty acid esters


Synonymous chemical name(s):
methyl octanoate


External chemical identifier(s):
CID:8091, CHEMBL3183908, CHEBI:87432, CHEMSPIDER:7800, ZINC000001666990, FDASRS:7MO740X6QL, MOLPORT:003-927-941, SURECHEMBL:SCHEMBL27416


Spectrabase ID:
7E2G5g3nIeB


Chemical structure download

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