input word = C00003520

Metabolite InformationStructural formula
Name Ginsenoside Rg1
Formula C42H72O14
Mw 800.49220701
CAS RN 22427-39-0
C_ID C00003520 ,
InChIKey YURJSTAIMNSZAE-NWJKAVCXNA-N
InChICode InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33-,34+,35-,36-,37-,39+,40+,41+,42-/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@]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
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudoginseng subsp.pseudo-ginseng Ref.
PlantaeAraliaceaePanax quinquefolium L. Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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