input word = C00048043

Metabolite InformationStructural formula
Name Paeonin C
(+)-Paeonin C
Formula C23H28O12
Mw 496.15807636
CAS RN 714957-13-8
C_ID C00048043 ,
InChIKey FCHVXNVDFYXLIL-SENIYARYNA-N
InChICode InChI=1S/C23H28O12/c1-20-8-22(30)13-6-23(20,33-18-16(28)15(27)14(26)12(7-24)32-18)21(13,19(34-20)35-22)9-31-17(29)10-2-4-11(25)5-3-10/h2-5,12-16,18-19,24-28,30H,6-9H2,1H3/t12-,13-,14+,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
SMILES C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia emodi Ref.
PlantaePaeoniaceaePaeonia lactiflora Ref.
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