input word = C00033873

Metabolite InformationStructural formula
Name Ginsenoside Ra1
Formula C58H98O26
Mw 1210.63463331
CAS RN 83459-41-0
C_ID C00033873 ,
InChIKey GUUSIBMRLBIWIV-VMPJBIFINA-N
InChICode InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-52-47(74)42(69)40(67)31(80-52)23-75-30-22-77-50(45(72)39(30)66)83-49-44(71)36(63)27(62)21-76-49)25-11-16-57(7)35(25)26(61)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(70)38(65)29(20-60)79-53)82-51-46(73)41(68)37(64)28(19-59)78-51/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,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-,53-,55-,56+,57+,58+/m0/s1
SMILES CC(C)=CCCC(C)(O[C@@H]1O[C@H](CO[C@@H]2CO[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax notoginseng Ref.
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