input word = C00048042

Metabolite InformationStructural formula
Name Paeoniflorone
(-)-Paeoniflorone
Formula C17H20O7
Mw 336.12090299
CAS RN 1181222-84-3
C_ID C00048042 ,
InChIKey BCWBVYONIOEKQB-SJEOKGJPNA-N
InChICode InChI=1S/C17H20O7/c1-8-3-11(18)10-6-17(8,23)16(10,2)7-24-15(22)9-4-12(19)14(21)13(20)5-9/h4-5,8,10,19-21,23H,3,6-7H2,1-2H3/t8-,10+,16-,17+/m1/s1
SMILES C[C@@H]1CC(=O)[C@@H]2C[C@@]1(O)[C@]2(C)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia albiflora Ref.
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OrganismPaeonia albiflora
ReferenceDuan,J.Nat.Prod.,72,(2009),1579