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@@]12[C@@]3(O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)[C@]4(O[C@@H]1O[C@@]([C@@H]2C3)(C4)O)C)OC(=O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia emodi Ref.
PlantaePaeoniaceaePaeonia lactiflora Ref.
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OrganismPaeonia emodi
ReferenceRiaz, et al., Phytochemistry, 65, (2004), 1129