RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0188153
RefMet name	Cephalotaxine
Systematic name	cephalotaxine
Synonyms	PubChem Synonyms
Exact mass	315.147058 (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	C18H21NO4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	53056 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	YMNCVRSYJBNGLD-KURKYZTESA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COC1=C[C@@]23CCCN3CCc3cc4c(cc3[C@@H]2[C@@H]1O)OCO4 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Cephalotaxus alkaloids
Distribution of Cephalotaxine 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 Cephalotaxine
External Links
Pubchem CID	65305
ChEBI ID	3540
EPA CompTox	DTXCID90210272
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)