input word = C00009747

Metabolite InformationStructural formula
Name Abruquinone B
6,7,8,3',4'-Pentamethoxyisoflavanquinone
Formula C20H22O8
Mw 390.13146768
CAS RN 71593-09-4
C_ID C00009747 ,
InChIKey TZOHVRDKXUMVIU-UHFFFAOYNA-N
InChICode InChI=1S/C20H22O8/c1-23-14-7-10-6-11(9-28-16(10)20(27-5)18(14)25-3)12-8-13(21)17(24-2)19(26-4)15(12)22/h7-8,11H,6,9H2,1-5H3/t11-/m0/s1
SMILES c1(c(cc2c(c1OC)OC[C@H](C2)C1=CC(=O)C(=C(C1=O)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAbrus precatorius Ref.
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