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 C1=C([C@H]2C(=C(C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O)C)C1=O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
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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