Metabolomics Structure Database

 
MW REGNO: 38160
Common Name:Sumiki's acid
Systematic Name:5-(hydroxymethyl)furan-2-carboxylic acid
RefMet Name:Sumiki's acid
Synonyms: [PubChem Synonyms]
Exact Mass:
142.0266 (neutral)    Calculate m/z:
Formula:C6H6O4
InChIKey:PCSKKIUURRTAEM-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Furans [C0000076]
ClassyFire subclass:Furoic acid and derivatives [C0004758]
ClassyFire direct parent:Furoic acids [C0001448]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:O=C(O)c1ccc(CO)o1
Studies:Available studies (via RefMet name)

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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

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