Metabolomics Structure Database

 
MW REGNO: 52717
Common Name:3-amino-4,7-dihydroxy-8-methylcoumarin
Systematic Name:3-amino-4,7-dihydroxy-8-methyl-2H-chromen-2-one
RefMet Name:3-Amino-4,7-dihydroxy-8-methylcoumarin
Synonyms: [PubChem Synonyms]
Exact Mass:
207.0532 (neutral)    Calculate m/z:
Formula:C10H9NO4
InChIKey:RYDWGVPXXFYEQD-UHFFFAOYSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Flavonoids
LIPID MAPS subclass:Coumarins
SMILES:Cc1c(ccc2c(c(c(=O)oc12)N)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:54691342
CHEBI ID:74154

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

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