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.
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OrganismPaeonia suffruticosa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter41