Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51219
Common Name:	(S)-stylopine
Systematic Name:	(12bS)-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4',5':7,8]isoquino[3,2-a]isoquinoline
RefMet Name:	(S)-Stylopine
Synonyms:	(-)-Tetrahydrocoptisine; (S)-stylopine; 2,3:9,10-Bis(methylenedioxy)-13a-alpha-berbine; 4H-Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine, 6,7,12b,13-tetrahydro-, (S)- [PubChem Synonyms]
Exact Mass:	323.1158 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C19H17NO4
InChIKey:	UXYJCYXWJGAKQY-HNNXBMFYSA-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
SMILES:	c1cc2c(c3CN4CCc5cc6c(cc5[C@@H]4Cc13)OCO6)OCO2
Studies:	Available studies (via RefMet name)

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PubChem CID:	440583
CHEBI ID:	18285

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