input word = C00032711

Metabolite InformationStructural formula
Name Apiopaeonoside
Formula C20H28O12
Mw 460.15807636
CAS RN 100291-86-9
C_ID C00032711 ,
InChIKey IRLNKOAURQPXIQ-RZEWBBRLNA-N
InChICode InChI=1S/C20H28O12/c1-9(22)11-4-3-10(28-2)5-12(11)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3/t13-,14+,15+,16-,17+,18-,19-,20-/m1/s1
SMILES COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa ANDREWS Ref.
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