Metabolomics Structure Database

 
MW REGNO: 78593
Common Name:Dihydroxyquinoine
Systematic Name:4-hydroxy-1H-quinolin-2-one
RefMet Name:Dihydroxyquinoline
Synonyms:2,4-Quinolinediol [PubChem Synonyms]
Exact Mass:
161.0477 (neutral)    Calculate m/z:
Formula:C9H7NO2
InChIKey:HDHQZCHIXUUSMK-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Quinolines and derivatives [C0001253]
ClassyFire subclass:Quinolones and derivatives [C0000056]
ClassyFire direct parent:Hydroxyquinolones [C0001714]
SMILES:c1ccc2c(c1)c(cc(=O)[nH]2)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

Calculated physicochemical properties:

No data available

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