input word = C00031062

Metabolite InformationStructural formula
Name Platycoside K
Formula C42H68O17
Mw 844.44565075
CAS RN 899447-64-4
C_ID C00031062 ,
InChIKey OGWPDZNUKDWXIN-USTHWOTKNA-N
InChICode InChI=1S/C42H68O17/c1-37(2)10-11-42(36(54)55)20(12-37)19-6-7-24-38(3)13-21(47)33(41(17-45,18-46)25(38)8-9-39(24,4)40(19,5)14-26(42)48)59-35-31(53)32(28(50)23(16-44)57-35)58-34-30(52)29(51)27(49)22(15-43)56-34/h6,20-35,43-53H,7-18H2,1-5H3,(H,54,55)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,38+,39+,40+,42+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaePlatycodon grandiflorum A.DC. Ref.
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