RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138935
RefMet name	Dextromethorphan
Systematic name	(+)-3-methoxy-17-methyl-9a,13a,14a-morphinan
Synonyms	PubChem Synonyms
Exact mass	271.193614 (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	C18H25NO	View other entries in RefMet with this formula
Molecular descriptors
Molfile	42855 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/ s1
InChIKey	MKXZASYAUGDDCJ-NJAFHUGGSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(cc31)OC 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 Dextromethorphan 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 Dextromethorphan
External Links
Pubchem CID	5360696
ChEBI ID	4470
KEGG ID	C06947
HMDB ID	HMDB0014655
Chemspider ID	4642423
EPA CompTox	DTXCID80197063
Spectral data for Dextromethorphan standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)