input word = C00034031

Metabolite InformationStructural formula
Name Lobofrutoside
Formula C45H73NO16
Mw 883.49293529
CAS RN 501669-82-5
C_ID C00034031 ,
InChIKey RIVIQJIJCOXJBE-WJRMCMAMNA-N
InChICode InChI=1S/C45H73NO16/c1-18-9-12-45(46-16-18)19(2)30-27(62-45)14-26-24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(48)44(26,30)6)58-42-39(61-41-36(54)34(52)32(50)21(4)57-41)37(55)38(28(17-47)59-42)60-40-35(53)33(51)31(49)20(3)56-40/h7,18-21,23-42,46-55H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45-/m1/s1
SMILES C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycocarpum Ref.
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