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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OrganismPanax pseudo-ginseng var.notoginseng
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Zou, et al., JNP, 65, (2002), 346.

Yoshikawa, et al., JNP, 66, (2003), 922