Metabolomics Structure Database

 
MW REGNO: 38028
Common Name:Bisdemethoxycurcumin
Systematic Name:(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
RefMet Name:Bisdemethoxycurcumin
Synonyms: [PubChem Synonyms]
Exact Mass:
308.1049 (neutral)    Calculate m/z:
Formula:C19H16O4
InChIKey:PREBVFJICNPEKM-YDWXAUTNSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Linear diarylheptanoids
LIPID MAPS subclass:Curcuminoids
Massbank MS spectra:View MS spectra
SMILES:Oc1ccc(cc1)/C=C/C(=O)CC(=O)/C=C/c1ccc(O)cc1
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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