input word = C00057794

Metabolite InformationStructural formula
Name Torvoside N
Formula C39H64O14
Mw 756.42960675
CAS RN 1163795-91-2
C_ID C00057794
InChIKey WMTMIRFHKHZVCJ-YRSXCBKXSA-N
InChICode InChI=1S/C39H64O15/c1-16-5-8-39(50-14-16)17(2)28-25(54-39)10-20-18-9-22(41)21-11-24(23(42)12-38(21,4)19(18)6-7-37(20,28)3)51-36-34(48)32(46)30(44)27(53-36)15-49-35-33(47)31(45)29(43)26(13-40)52-35/h16-36,40-48H,5-15H2,1-4H3/t16-,17-,18+,19-,20-,21+,22-,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38+,39+/m0/s1
SMILES C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
zoom in