RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0204912
RefMet name	Ethylmorphine
Synonyms	PubChem Synonyms
Exact mass	313.167794 (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	C19H23NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43565 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	OGDVEMNWJVYAJL-LEPYJNQMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@@H]([C@H]5[C@]4(CCN3C)c2c1O5)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Morphinan alkaloids
Distribution of Ethylmorphine 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 Ethylmorphine
External Links
Pubchem CID	5359271
ChEBI ID	4902
KEGG ID	C07537
HMDB ID	HMDB0015509
Chemspider ID	4514250
EPA CompTox	DTXCID30208673
Spectral data for Ethylmorphine standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)