input word = C00048038

Metabolite InformationStructural formula
Name Paeonidanin B
(-)-Paeonidanin B
Formula C31H34O15
Mw 646.18977042
CAS RN 1181222-80-9
C_ID C00048038 ,
InChIKey MCPINUIKOMHPEA-ZYUIBTKZNA-N
InChICode InChI=1S/C31H34O15/c1-29-11-19(34)16-10-31(29,30(16,28(41-2)46-29)13-43-25(39)14-6-4-3-5-7-14)45-27-24(38)23(37)22(36)20(44-27)12-42-26(40)15-8-17(32)21(35)18(33)9-15/h3-9,16,20,22-24,27-28,32-33,35-38H,10-13H2,1-2H3/t16-,20+,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)c1cc(c(c(c1)O)O)O)O)O)O)COC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia albiflora Ref.
zoom in