RefMet Compound Details

MW structure22662 (View MW Metabolite Database details)
RefMet name3-O-Demethylamorphigenin
Systematic name17-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16-methoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
SMILESC=C(CO)C1Cc2c(ccc3C(=O)C4c5cc(c(cc5OCC4Oc23)O)OC)O1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass396.120905 (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
FormulaC22H20O7View other entries in RefMet with this formula
InChIInChI=1S/C22H20O7/c1-10(8-23)16-6-13-15(28-16)4-3-11-21(25)20-12-5-18(26-2)14(24)7-17(12)27-9-19(20)29-22(11)13/h3-5,7,16,19-20,23
-24H,1,6,8-9H2,2H3
InChIKeyABUBWVZSQKAKIK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassFlavonoids
Sub ClassRotenoid flavonoids
Pubchem CID44257401
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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