input word = C00032413

Metabolite InformationStructural formula
Name Trigofoenoside D-1
Formula C52H82O23
Mw 1074.52468893
CAS RN 99664-41-2
C_ID C00032413 ,
InChIKey LOSNTJHBTWBJCC-VOCYNGLZNA-N
InChICode InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22-,23+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44-,45+,46+,47-,48-,49+,50-,51-,52+/m0/s1
SMILES COC1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
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