input word = C00058164

Metabolite InformationStructural formula
Name Tuberoside Q
Formula C39H64O15
Mw 772.42452138
CAS RN 651306-82-0
C_ID C00058164
InChIKey MJBXSUPKOALKRA-WNWAPXAVSA-N
InChICode InChI=1S/C39H64O15/c1-16-6-11-39(54-33(16)47)17(2)26-23(53-39)12-21-19-7-10-38(48)14-24(22(41)13-37(38,5)20(19)8-9-36(21,26)4)50-35-31(46)29(44)32(25(15-40)51-35)52-34-30(45)28(43)27(42)18(3)49-34/h16-35,40-48H,6-15H2,1-5H3/t16-,17+,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35-,36+,37-,38+,39+/m1/s1
SMILES OC[C@@H](O[C@H]1O[C@H]2[C@H](C[C@@]3([C@]4(CC[C@]5([C@](C[C@]6([C@@]5([C@@H]([C@@]7(O6)O[C@H](O)[C@@H](CC7)C)C)[H])[H])([H])[C@@]4(CC[C@@]3(C2)O)[H])C)[H])C)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
zoom in