input word = C00002705

Metabolite InformationStructural formula
Name Paeonolide
Formula C20H28O12
Mw 460.15807636
CAS RN 72520-92-4
C_ID C00002705 ,
InChIKey IDZZECHGWAZTIB-QGWKUWPWNA-N
InChICode InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14+,15+,16-,17-,18+,19+,20+/m0/s1
SMILES COc1ccc(C(C)=O)c(O[C@@H]2OC(CO[C@@H]3OC[C@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia arborea Ref.
PlantaePaeoniaceaePaeonia moutan Ref.
PlantaePaeoniaceaePaeonia obovata Ref.
PlantaePaeoniaceaePaeonia suffruticosa Ref.
zoom in



OrganismPaeonia moutan
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)