input word = C00058768

Metabolite InformationStructural formula
Name Trifoside C
Formula C45H70O17
Mw 882.46130081
CAS RN 170752-94-0
C_ID C00058768
InChIKey YNVHPXCDLBLZGR-OYMUJAIUSA-N
InChICode InChI=1S/C45H70O17/c1-21-8-13-45(40(55)56)15-14-43(4)22(23(45)16-21)6-7-28-41(2)11-10-29(42(3,20-47)27(41)9-12-44(28,43)5)60-39-36(62-37-33(53)30(50)24(48)18-57-37)35(25(49)19-58-39)61-38-34(54)32(52)31(51)26(17-46)59-38/h6,23-39,46-54H,1,7-20H2,2-5H3,(H,55,56)/t23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,41-,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)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeAkebia trifoliata Ref.
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