Metabolomics Structure Database

 
MW REGNO: 44890
Common Name:Anthocyanidins
Systematic Name:2-phenyl-1$l^{4}-chromen-1-ylium
RefMet Name:Anthocyanin
Synonyms: [PubChem Synonyms]
Exact Mass:
207.0810 (neutral)    Calculate m/z:
Formula:C15H11O
InChIKey:NWKFECICNXDNOQ-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Flavonoids
LIPID MAPS subclass:Anthocyanidins
SMILES:c1ccc(cc1)c1ccc2ccccc2[o+]1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo