input word = C00003535

Metabolite InformationStructural formula
Name Ginsenoside R1
Notoginsenoside R1
Formula C47H80O18
Mw 932.53446575
CAS RN 80418-24-2
C_ID C00003535 ,
InChIKey LLPWNQMSUYAGQI-PTNIZGIINA-N
InChICode InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24-,25-,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40+,41-,42-,44+,45+,46+,47-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3OC(CO)[C@@H](O)C(O)C3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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