input word = C00045439

Metabolite InformationStructural formula
Name Vina-ginsenoside R2
Formula C43H72O15
Mw 828.48712163
CAS RN 156980-42-6
C_ID C00045439 ,
InChIKey URPKGNJHPFKECW-UHFFFAOYNA-N
InChICode InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3/t21-,22+,23-,24-,25+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,40-,41-,42-,43-/m0/s1
SMILES C1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1O[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)(C)O)C)C)O)C)COC(=O)C)O)O)O)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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