input word = C00058165

Metabolite InformationStructural formula
Name Tuberoside R
Formula C39H64O15
Mw 772.42452138
CAS RN 651306-83-1
C_ID C00058165
InChIKey ZUIYFEGPXATJGF-QHJLQRGCSA-N
InChICode InChI=1S/C39H64O15/c1-17(16-50-35-33(47)31(45)29(43)26(14-40)53-35)5-6-23-18(2)28-24(51-23)11-21-19-7-10-39(49)13-25(52-36-34(48)32(46)30(44)27(15-41)54-36)22(42)12-38(39,4)20(19)8-9-37(21,28)3/h17,19-22,24-36,40-49H,5-16H2,1-4H3/t17-,19-,20+,21+,22+,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(C)=C(CC[C@@H](C)CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)O6)[H])[H])([H])[C@@]4(CC[C@@]3(C2)O)[H])C)[H])C)O)[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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