input word = C00003518

Metabolite InformationStructural formula
Name Ginsenoside Re
Formula C48H82O18
Mw 946.55011582
CAS RN 52286-59-6
C_ID C00003518 ,
InChIKey PWAOOJDMFUQOKB-SFMRQSJUNA-N
InChICode InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38-,39+,40-,41-,42-,43-,45+,46+,47+,48-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)C)O)O)O)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](CCC=C(C)C)(C)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudoginseng Ref.
PlantaeAraliaceaePanax quinquefolium L. Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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