Metabolomics Structure Database

 
MW REGNO: 125891
Common Name:4-[2-(3,5-Dihydroxyphenyl)Ethenyl]Benzene-1,2-Diol
Systematic Name:4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
Synonyms: [PubChem Synonyms]
Exact Mass:
244.0736 (neutral)    Calculate m/z:
Formula:C14H12O4
InChIKey:CDRPUGZCRXZLFL-UHFFFAOYSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Stilbenes [C0000253]
ClassyFire subclass:Stilbenes [C0000253]
SMILES:C(=Cc1cc(cc(c1)O)O)c1ccc(c(c1)O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:4813
CHEMBL ID:CHEMBL1972346
Plant Metabolite Hub(Pmhub):MS000000457

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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