input word = C00058766

Metabolite InformationStructural formula
Name Trifoside A
Formula C46H72O18
Mw 912.4718655
CAS RN 170713-70-9
C_ID C00058766
InChIKey ZHWOSNNIJKRDIG-UHFFFAOYSA-N
InChICode InChI=1S/C46H72O18/c1-41(2)26-9-12-45(6)27(8-7-21-22-17-42(3,39(55)56)13-15-46(22,40(57)58)16-14-44(21,45)5)43(26,4)11-10-28(41)62-38-35(64-37-33(54)30(51)24(49)20-60-37)34(31(52)25(18-47)61-38)63-36-32(53)29(50)23(48)19-59-36/h7,22-38,47-54H,8-20H2,1-6H3,(H,55,56)(H,57,58)
SMILES CC1(C(=O)O)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeAkebia trifoliata Ref.
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