input word = C00045438

Metabolite InformationStructural formula
Name Vina-ginsenoside R1
Formula C44H74O15
Mw 842.5027717
CAS RN 156980-41-5
C_ID C00045438 ,
InChIKey VTZDPCBUMTUOMY-JWMOWSCONA-N
InChICode InChI=1S/C44H74O15/c1-20-30(48)32(50)34(52)37(55-20)58-35-33(51)31(49)25(19-54-21(2)45)57-38(35)56-24-18-43(9)26(41(7)14-12-27(47)39(3,4)36(24)41)17-23(46)29-22(11-15-42(29,43)8)44(10)16-13-28(59-44)40(5,6)53/h20,22-38,46-53H,11-19H2,1-10H3/t20-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,41+,42+,43+,44-/m0/s1
SMILES [C@H]1([C@H]([C@@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)C)O[C@H]1C[C@@]2([C@@H]([C@@]3([C@@H]1C([C@H](CC3)O)(C)C)C)C[C@H]([C@H]1[C@]2(CC[C@@H]1[C@]1(O[C@@H](CC1)C(C)(O)C)C)C)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
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