Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51993
Common Name:	1,3-dihydroxy-N-methylacridone
Systematic Name:	1,3-dihydroxy-10-methylacridin-9-one
RefMet Name:	1,3-Dihydroxy-N-methylacridone
Synonyms:	1,3-dihydroxy-N-methylacridone [PubChem Synonyms]
Exact Mass:	241.0739 (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:	C14H11NO3
InChIKey:	GDALETGZDYOOGB-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Quinolines and derivatives [C0001253]
ClassyFire subclass:	Benzoquinolines [C0001908]
ClassyFire direct parent:	Acridones [C0001811]
SMILES:	Cn1c2ccccc2c(=O)c2c1cc(cc2O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5282066
CHEBI ID:	30306
HMDB ID:	HMDB0304008
MetaCyc ID:	13-DIHYDROXY-N-METHYLACRIDONE
Plant Metabolite Hub(Pmhub):	MS000022833

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