RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199130
RefMet name	Vincamine
Systematic name	methyl 14beta-hydroxy-14,15-dihydro-3alpha,16alpha-eburnamenine-14alpha-carboxylate
Synonyms	PubChem Synonyms
Exact mass	354.194343 (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	C21H26N2O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53514 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	RXPRRQLKFXBCSJ-GIVPXCGWSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]23)[C@](C1)(C(=O)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Aspidosperma type
Distribution of Vincamine 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 Vincamine
External Links
Pubchem CID	15376
ChEBI ID	9985
EPA CompTox	DTXCID30199092
Spectral data for Vincamine standards
MassBank(EU)	View MS spectra