Metabolomics Structure Database

 
MW REGNO: 69360
Common Name:Gentioflavine
Systematic Name:6-methyl-1-oxo-3,4,6,7-tetrahydropyrano[3,4-c]pyridine-5-carbaldehyde
RefMet Name:Gentioflavine
Synonyms:C09962; AC1L9D18; CTK0H8040 [PubChem Synonyms]
Exact Mass:
193.0739 (neutral)    Calculate m/z:
Formula:C10H11NO3
InChIKey:GLNRAZLQBMAROT-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Lactones [C0000050]
ClassyFire subclass:Delta valerolactones [C0001244]
ClassyFire direct parent:Delta valerolactones [C0001244]
SMILES:CC1C(=C2CCOC(=O)C2=CN1)C=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:442536
KEGG ID:C09962
EPA CompTox DB:DTXCID701194358
Plant Metabolite Hub(Pmhub):MS000021173

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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