Metabolomics Structure Database
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MW REGNO: | 69541 |
Common Name: | Baptifoline |
Systematic Name: | (3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
RefMet Name: | Baptifoline |
Synonyms: | AC1L9DPB; C10755 [PubChem Synonyms] |
Exact Mass: | |
Formula: | C15H20N2O2 |
InChIKey: | AOOCSKCGZYCEJX-CXHDDBMJSA-N |
ClassyFire superclass: | Alkaloids and derivatives [C0000279] |
ClassyFire class: | Lupin alkaloids [C0002719] |
ClassyFire subclass: | Anagyrine-type alkaloids [C0002723] |
ClassyFire direct parent: | Anagyrine-type alkaloids [C0002723] |
SMILES: | O[C@@H]1C[C@@H]2C3CC(CN2CC1)C1=CC=CC(=O)N1C3 |
Studies: | Available studies (via RefMet name) |
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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