Metabolomics Structure Database
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MW REGNO: | 53615 |
Common Name: | Corydaline |
Systematic Name: | 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine |
RefMet Name: | Corydaline |
Synonyms: | (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline; corydaline [PubChem Synonyms] |
Exact Mass: | |
Formula: | C22H27NO4 |
InChIKey: | VRSRXLJTYQVOHC-YEJXKQKISA-N |
ClassyFire superclass: | Alkaloids and derivatives [C0000279] |
ClassyFire class: | Protoberberine alkaloids and derivatives [C0001909] |
ClassyFire subclass: | Protoberberine alkaloids and derivatives [C0001909] |
ClassyFire direct parent: | Aromatic heteropolycyclic compounds |
Massbank MS spectra: | View MS spectra |
SMILES: | C[C@H]1c2ccc(c(c2CN2CCc3cc(c(cc3[C@@H]12)OC)OC)OC)OC |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 101301 |
CHEBI ID: | 14027 |
MetaCyc ID: | CORYDALINE |
EPA CompTox DB: | DTXCID70220657 |
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