RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0135216
RefMet nameRotenone
Systematic name(2R,6aS,12aS)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one
SynonymsPubChem Synonyms
Exact mass394.141640 (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
FormulaC23H22O6View other entries in RefMet with this formula
Molecular descriptors
Molfile22653 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1
,8,10H2,2-4H3/t16-,20-,21+/m1/s1
InChIKeyJUVIOZPCNVVQFO-HBGVWJBISA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC=C(C)[C@H]1Cc2c(ccc3C(=O)[C@H]4c5cc(c(cc5OC[C@H]4Oc23)OC)OC)O1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassRotenoids
Distribution of Rotenone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Rotenone
External Links
Pubchem CID6758
LIPID MAPSLMPK12060007
ChEBI ID28201
KEGG IDC07593
HMDB IDHMDB0034436
Chemspider ID6500
MetaCyc IDCPD-5741
EPA CompToxDTXCID80209099
Spectral data for Rotenone 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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