RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0050124
RefMet name	Corydaline
Systematic name	2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine
Synonyms	PubChem Synonyms
Exact mass	369.194009 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C22H27NO4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53615 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2 ,1-5H3/t13-,21+/m0/s1
InChIKey	VRSRXLJTYQVOHC-YEJXKQKISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@H]1c2ccc(c(c2CN2CCc3cc(c(cc3[C@@H]12)OC)OC)OC)OC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Protoberberine alkaloids
Distribution of Corydaline in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Corydaline
External Links
Pubchem CID	101301
ChEBI ID	14027
KEGG ID	C15530
MetaCyc ID	CORYDALINE
EPA CompTox	DTXCID70220657
Spectral data for Corydaline standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)