input word = C00058767

Metabolite InformationStructural formula
Name Trifoside B
Formula C45H70O16
Mw 866.46638619
CAS RN 170752-93-9
C_ID C00058767
InChIKey KKTHPQLQBLJVCR-KQYXKNRKSA-N
InChICode InChI=1S/C45H70O16/c1-21-9-14-45(40(54)55)16-15-43(5)22(23(45)17-21)7-8-28-42(4)12-11-29(41(2,3)27(42)10-13-44(28,43)6)59-39-36(61-37-33(52)30(49)24(47)19-56-37)35(25(48)20-57-39)60-38-34(53)32(51)31(50)26(18-46)58-38/h7,23-39,46-53H,1,8-20H2,2-6H3,(H,54,55)/t23-,24+,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,42-,43+,44+,45-/m0/s1
SMILES C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[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@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeAkebia trifoliata Ref.
zoom in



OrganismAkebia trifoliata
ReferenceA. Ikuta et al., Chem. Abs., (1995), 123, 334962.