Met009052: Ethyl 3,4,5-trimethoxybenzoate
Metabolite Information
Name
Ethyl 3,4,5-trimethoxybenzoate
IUPAC Name
ethyl 3,4,5-trimethoxybenzoate
Molecular Formula
C12H16O5
Molecular Weight
240.25
Exact Mass
240.0997736
SMILES
CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChIKey
UEOFNBCUGJADBM-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Benzenoids
Class:
Benzene and substituted derivatives
Subclass:
Benzoic acids and derivatives
Crops containing this metabolite
broad_bean
chestnut
cowpea
perilla
chestnut
cowpea
perilla
Metabolite Spectrum Accession Label