Metabolomics Structure Database
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MW REGNO: | 66953 |
Common Name: | 3,4-dimethoxybenzoic acid |
Systematic Name: | 3,4-dimethoxybenzoic acid |
RefMet Name: | 3,4-Dimethoxybenzoic acid |
Synonyms: | 3,4-Dimethoxybenzoic acid; 3,4-Dimethylprotocatechuic acid; Dimethylprotocatechuic acid; Veratric acid; Veratrumenoic acid; Veratrylic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H10O4 |
InChIKey: | DAUAQNGYDSHRET-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Benzoic acids and derivatives [C0000176] |
ClassyFire direct parent: | P-methoxybenzoic acids and derivatives [C0002346] |
Massbank MS spectra: | View MS spectra |
SMILES: | COc1ccc(cc1OC)C(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 7121 |
CHEBI ID: | 296881 |
HMDB ID: | HMDB0059763 |
BMRB ID: | bmse010207 |
Plant Metabolite Hub(Pmhub): | MS000011452 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y