Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	57149
Common Name:	Quinolin-8-ol
Systematic Name:	quinolin-8-ol
RefMet Name:	Quinolin-8-ol
Synonyms:	1-Azanaphthalene-8-ol; 8-Chinolinol; 8-Hydroxy-chinolin; 8-Hydroxyquinoline; 8-OQ; 8-Quinol; 8-quinolinol; Oxyquinoline; quinolin-8-ol [PubChem Synonyms]
Exact Mass:	145.0528 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C9H7NO
InChIKey:	MCJGNVYPOGVAJF-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Quinolines and derivatives [C0001253]
ClassyFire subclass:	8-hydroxyquinolines [C0003953]
ClassyFire direct parent:	8-hydroxyquinolines [C0003953]
MoNA MS spectra:	View MS spectra
SMILES:	c1cc2cccnc2c(c1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1923
CHEBI ID:	48981
KEGG ID:	C19434
MetaCyc ID:	8-HYDROXYQUINOLINE
Plant Metabolite Hub(Pmhub):	MS000002016

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