input word = C00020577

Metabolite InformationStructural formula
Name Picriside A
Formula C21H26O10
Mw 438.15259705
CAS RN 104778-11-2
C_ID C00020577 ,
InChIKey NCNUKSMLRPTJBC-OSNCTJFNNA-N
InChICode InChI=1S/C21H26O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,10,12,14-19,21-23,25-27H,2-3,5-6H2,1H3/t10-,12+,14+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)=CC(=O)C3=C(C)C[C@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePicris hieracioides Ref.
PlantaeAsteraceaePicris hieracioides L.var.japonica Regel Ref.
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