Metabolomics Structure Database
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MW REGNO: | 206875 |
Common Name: | 1,4-Benzenedicarboxylic acid, monomethyl ester |
Systematic Name: | 4-methoxycarbonylbenzoic acid |
RefMet Name: | 1,4-Benzenedicarboxylic acid, monomethyl ester |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C9H8O4 |
InChIKey: | REIDAMBAPLIATC-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids |
ClassyFire class: | Benzene and substituted derivatives |
ClassyFire subclass: | Benzoic acids and derivatives |
ClassyFire direct parent: | p-Phthalate esters |
SMILES: | COC(=O)c1ccc(cc1)C(=O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 15513 |
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