input word = C00020841

Metabolite InformationStructural formula
Name Picrioside B
Formula C36H44O13
Mw 684.27819149
CAS RN 131870-92-3
C_ID C00020841 ,
InChIKey YJFPAKIFONEVJH-QMCHFYRQNA-N
InChICode InChI=1S/C36H44O13/c1-14-7-22(39)28-19(11-37)6-5-18(9-21(14)28)16(3)34(44)47-24-8-15(2)26-23(40)10-20(29(26)33-27(24)17(4)35(45)49-33)13-46-36-32(43)31(42)30(41)25(12-38)48-36/h7,10,17-18,21,24-25,27,29-33,36-38,41-43H,3,5-6,8-9,11-13H2,1-2,4H3/t17-,18+,21-,24-,25-,27+,29-,30+,31-,32+,33+,36+/m0/s1
SMILES C=C(C(=O)O[C@H]1CC(C)=C2C(=O)C=C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H]2[C@H]2OC(=O)C(C)[C@@H]21)[C@@H]1CCC(CO)=C2C(=O)C=C(C)[C@@H]2C1
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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