RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136654
RefMet nameResorcinol
Systematic nameBenzene-1,3-diol
SynonymsPubChem Synonyms
Exact mass110.036780 (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
FormulaC6H6O2View other entries in RefMet with this formula
Molecular descriptors
Molfile45222 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyGHMLBKRAJCXXBS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(cc(c1)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassPhenols
Sub ClassOther phenols
Distribution of Resorcinol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Resorcinol
External Links
Pubchem CID5054
ChEBI ID27810
KEGG IDC01751
HMDB IDHMDB0032037
Chemspider ID4878
MetaCyc IDCPD-623
EPA CompToxDTXCID601238
PhytoHub DBPHUB001579
Spectral data for Resorcinol standards
BMRB ID(NMR)View NMR spectra
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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