RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136438
RefMet nameMethocarbamol
Systematic name2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
SynonymsPubChem Synonyms
Exact mass241.095023 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC11H15NO5View other entries in RefMet with this formula
Molecular descriptors
Molfile42783 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
InChIKeyGNXFOGHNGIVQEH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1ccccc1OCC(COC(=O)N)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassAnisoles
Distribution of Methocarbamol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Methocarbamol
External Links
Pubchem CID4107
ChEBI ID77498
HMDB IDHMDB0014567
Chemspider ID3964
EPA CompToxDTXCID503286
Spectral data for Methocarbamol standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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