Metabolomics Structure Database
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MW REGNO: | 68749 |
Common Name: | 6-Chlorohydroxyquinol |
Systematic Name: | 6-chlorobenzene-1,2,4-triol |
RefMet Name: | 6-Chlorohydroxyquinol |
Synonyms: | 6-Chlorobenzene-1,2,4-triol; 1,2,4-Benzenetriol, 6-chloro-; ACMC-20n5wk; AC1L9ABM [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H5ClO3 |
InChIKey: | GVZRJQSQNLOFNR-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Phenols [C0000134] |
ClassyFire subclass: | Benzenetriols and derivatives [C0001310] |
ClassyFire direct parent: | Hydroxyquinols and derivatives [C0000380] |
SMILES: | c1c(cc(c(c1Cl)O)O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 440980 |
CHEBI ID: | 2177 |
KEGG ID: | C06328 |
MetaCyc ID: | 6-CHQ |
EPA CompTox DB: | DTXCID60282643 |
Plant Metabolite Hub(Pmhub): | MS000019091 |
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