input word = C00046344

Metabolite InformationStructural formula
Name Quinquangulone
Formula C16H14O6
Mw 302.07903818
CAS RN 368421-87-8
C_ID C00046344 ,
InChIKey BBYBQQJQBBMKBQ-UHFFFAOYNA-N
InChICode InChI=1S/C16H14O6/c1-7-4-9(17)14-11(22-7)5-8-13(15(14)19)10(18)6-12(21-3)16(8,2)20/h4-6,19-20H,1-3H3/t16-/m1/s1
SMILES C1(=CC(=O)c2c([C@@]1(C)O)cc1c(c2O)c(=O)cc(o1)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia quinquangulata Ref.
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OrganismCassia quinquangulata
ReferenceLi,J.Nat.Prod.,64,(2001),1153