input word = C00048039

Metabolite InformationStructural formula
Name Paeonidanin C
(-)-Paeonidanin C
Formula C31H34O13
Mw 614.19994117
CAS RN 1181222-81-0
C_ID C00048039 ,
InChIKey PBDROKLULCIDPL-RKONOPRJNA-N
InChICode InChI=1S/C31H34O13/c1-29-13-20(33)19-12-31(29,30(19,28(39-2)44-29)15-41-26(38)17-8-10-18(32)11-9-17)43-27-24(36)23(35)22(34)21(42-27)14-40-25(37)16-6-4-3-5-7-16/h3-11,19,21-24,27-28,32,34-36H,12-15H2,1-2H3/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)c1ccc(cc1)O
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