input word = C00040443

Metabolite InformationStructural formula
Name Talinumoside I
(+)-Talinumoside I
Formula C43H66O16
Mw 838.43508606
CAS RN 145826-48-8
C_ID C00040443 ,
InChIKey MUEUOXPTUMGVJS-JSYYIIBGNA-N
InChICode InChI=1S/C43H66O16/c1-38(2)23-10-13-42(6)24(40(23,4)12-11-25(38)57-35-31(50)28(47)29(48)32(58-35)33(51)52)9-8-20-21-18-39(3,36(53)55-7)14-16-43(21,17-15-41(20,42)5)37(54)59-34-30(49)27(46)26(45)22(19-44)56-34/h8,21-32,34-35,44-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28-,29-,30+,31+,32-,34-,35+,39-,40-,41+,42+,43-/m0/s1
SMILES C1[C@@H]2[C@](CC[C@]1(C)C(=O)OC)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTalinaceae/Montiaceae/PortulacaceaeTalinum triangulare Ref.
zoom in