input word = C00058100

Metabolite InformationStructural formula
Name Tuberoside J
Formula C39H64O14
Mw 756.42960675
CAS RN 373647-08-6
C_ID C00058100
InChIKey KWJJIZPJGGHBBX-PSZFTBGNSA-N
InChICode InChI=1S/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3/t17-,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 OC[C@@H](O[C@H]1O[C@H]2[C@@H](C[C@@]3([C@]4(CC[C@]5([C@]([H])([C@@]4(CC[C@]3(C2)[H])[H])C[C@]6([C@@]5([C@@H]([C@@]7(O6)OC[C@H](CC7)CO)C)[H])[H])C)[H])C)O)[C@H]([C@@H]([C@H]1O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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