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 CO[C@H]1OC2(C)CC(=O)[C@@H]3CC2(O[C@@H]2O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]2O)C13COC(=O)c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia albiflora Ref.
zoom in