input word = C00019428

Metabolite InformationStructural formula
Name Abruquinone E
(3S)-2',5'-Diketo-6,7,8,3',4',6'-hexamethoxyisoflavan
Formula C21H24O9
Mw 420.14203237
CAS RN 168433-90-7
C_ID C00019428 ,
InChIKey WMZRGAYGZBGMMG-LDGXTIHJNA-N
InChICode InChI=1S/C21H24O9/c1-24-12-8-10-7-11(9-30-16(10)21(29-6)17(12)25-2)13-14(22)19(27-4)20(28-5)15(23)18(13)26-3/h8,11H,7,9H2,1-6H3/t11-/m1/s1
SMILES c1(c(cc2c(c1OC)OC[C@@H](C2)C1=C(C(=O)C(=C(C1=O)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus precatorius Ref.
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