input word = C00048037

Metabolite InformationStructural formula
Name Paeonidanin A
(-)-Paeonidanin A
Formula C31H34O12
Mw 598.20502655
CAS RN 1181222-78-5
C_ID C00048037 ,
InChIKey FHQISCVSTDQXSV-RKONOPRJNA-N
InChICode InChI=1S/C31H34O12/c1-29-14-20(32)19-13-31(29,30(19,28(38-2)43-29)16-40-26(37)18-11-7-4-8-12-18)42-27-24(35)23(34)22(33)21(41-27)15-39-25(36)17-9-5-3-6-10-17/h3-12,19,21-24,27-28,33-35H,13-16H2,1-2H3/t19-,21+,22-,23-,24+,27-,28-,29-,30-,31-/m0/s1
SMILES [C@]12([C@H]3C[C@@]1([C@@](O[C@@H]2OC)(CC3=O)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c1ccccc1)O)O)O)COC(=O)c1ccccc1
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