Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53271
Common Name:	Lycorine
Systematic Name:	9,10-(methylenedioxy)-3,12-didehydrogalanthan-1alpha,2beta-diol
Synonyms:	(-)-lycorine; Amarylline; Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1-alpha,2-beta)-; Galanthidine; Licorine; Lycoran-1-alpha,2-beta-diol, 3,3-alpha-didehydro-; Lycorine; Narcissine; lycorine [PubChem Synonyms]
Exact Mass:	287.1158 (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:	C16H17NO4
InChIKey:	XGVJWXAYKUHDOO-DANNLKNASA-N
ClassyFire superclass:	Alkaloids and derivatives
ClassyFire class:	Amaryllidaceae alkaloids
ClassyFire subclass:	Lycorine-type amaryllidaceae alkaloids
ClassyFire direct parent:	Lycorine-type amaryllidaceae alkaloids
Massbank MS spectra:	View MS spectra
SMILES:	C1CN2Cc3cc4c(cc3[C@H]3[C@H]2C1=C[C@@H]([C@H]3O)O)OCO4
Studies:	-

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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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.