input word = C00030138

Metabolite InformationStructural formula
Name Dioscoreside D
(-)-Dioscoreside D
Hypoglaucin G
Formula C51H82O23
Mw 1062.52468893
CAS RN 403484-14-0
C_ID C00030138 ,
InChIKey OJBSJPFDQZUALV-COIMZCIQNA-N
InChICode InChI=1S/C51H82O23/c1-20(19-66-46-40(62)39(61)36(58)30(17-52)71-46)7-10-32(55)70-29-16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,6)33(29)21(2)54)69-49-45(74-48-42(64)38(60)35(57)23(4)68-48)43(65)44(31(18-53)72-49)73-47-41(63)37(59)34(56)22(3)67-47/h8,20,22-23,25-31,33-49,52-53,56-65H,7,9-19H2,1-6H3/t20-,22+,23+,25+,26-,27+,28+,29+,30-,31-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@@]1([C@H]3C[C@@H]([C@@H]1C(=O)C)OC(=O)CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea collettii var.hypoglauca Ref.
PlantaeDioscoreaceaeDioscorea panthaica Ref.
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
zoom in