Metabolomics Structure Database
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MW REGNO: | 69914 |
Common Name: | Dimefline hydrochloride |
Systematic Name: | 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenyl-chromen-4-one;hydrochloride |
RefMet Name: | Dimefline hydrochloride |
Synonyms: | Remeflin; DW-62; Demefline; NSC-114650; REC 7/0267 [PubChem Synonyms] |
Exact Mass: | |
Formula: | C20H22ClNO3 |
InChIKey: | RCISIXJGNBXXPZ-UHFFFAOYSA-N |
ClassyFire superclass: | Phenylpropanoids and polyketides [C0000261] |
ClassyFire class: | Flavonoids [C0000334] |
ClassyFire subclass: | O-methylated flavonoids [C0002585] |
ClassyFire direct parent: | 7-O-methylated flavonoids [C0002592] |
SMILES: | Cc1c(=O)c2ccc(c(CN(C)C)c2oc1c1ccccc1)OC.Cl |
Studies: | Available studies (via RefMet name) |
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External database links:
PubChem CID: | 443942 |
CHEBI ID: | 31495 |
KEGG ID: | C12717 |
EPA CompTox DB: | DTXCID5028243 |
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