View source for Mol:Ginsenoside Rb1

 
  ACD/Labs11100715112D 
 
 83 90  0  0  1  0  0  0  0  0  1 V2000 
   20.0442  -17.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0442  -18.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8923  -16.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8923  -19.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7406  -17.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7406  -18.6440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8923  -20.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7404  -21.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.5888  -19.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1962  -16.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1962  -13.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3481  -11.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3481  -12.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1962  -10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0444  -11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0444  -12.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6518  -11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6518  -12.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.4999  -13.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9555  -11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9555  -12.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8036  -10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8036  -13.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2592  -11.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2592  -12.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1073  -10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1073  -13.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4111   -9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4111  -10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2592   -8.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1074   -9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7148   -9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7148  -10.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5629   -8.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5628   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7146   -4.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4110   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2593   -5.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1075   -4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9556   -5.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8039   -4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9556   -6.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5487   -4.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.8665   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1701   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1701   -6.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0182   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0182   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.8665   -6.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1701   -9.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0184   -8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1701  -10.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   37.3219  -11.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0182  -11.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   37.3218  -12.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0182  -12.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1700  -13.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.5887  -16.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8923  -15.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1659  -17.9870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8926  -13.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8926  -10.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1962   -9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0444   -8.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3481  -14.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5727  -14.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.0505  -14.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.3400  -14.0291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9555  -10.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2592  -10.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2591   -7.3791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4111   -8.0441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   30.3867  -11.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.6846   -8.0681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   35.0182   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   37.3219   -4.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   37.3219   -7.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.8664  -10.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.8664  -13.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   36.1699  -14.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   38.4736  -13.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   39.6255  -12.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.0932  -12.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  3  1  0  0  0  0 
  6  5  1  0  0  0  0 
  4  7  1  6  0  0  0 
  6  4  1  0  0  0  0 
  8  7  1  0  0  0  0 
  6  9  1  1  0  0  0 
  1 10  1  0  0  0  0 
  3  1  1  0  0  0  0 
 10 11  1  6  0  0  0 
 14 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 16 11  1  0  0  0  0 
 16 15  1  0  0  0  0 
 18 19  1  1  0  0  0 
 13 19  1  0  0  0  0 
 13 12  1  0  0  0  0 
 22 20  1  0  0  0  0 
 23 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 18 17  1  0  0  0  0 
 25 24  1  0  0  0  0 
 27 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 21 20  1  0  0  0  0 
 30 28  1  0  0  0  0 
 24 29  1  0  0  0  0 
 31 30  1  0  0  0  0 
 26 24  1  0  0  0  0 
 26 31  1  0  0  0  0 
 33 32  1  0  0  0  0 
 34 32  1  0  0  0  0 
 28 34  1  0  0  0  0 
 29 28  1  0  0  0  0 
 34 35  1  0  0  0  0 
 29 33  1  0  0  0  0 
 35 36  1  0  0  0  0 
 37 35  1  0  0  0  0 
 38 37  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 41  1  0  0  0  0 
 40 42  1  0  0  0  0 
 35 43  1  1  0  0  0 
 44 36  1  1  0  0  0 
 46 45  1  0  0  0  0 
 47 45  1  0  0  0  0 
 44 47  1  0  0  0  0 
 49 48  1  0  0  0  0 
 49 44  1  0  0  0  0 
 48 46  1  0  0  0  0 
 51 50  1  0  0  0  0 
 48 51  1  1  0  0  0 
 53 52  1  0  0  0  0 
 54 52  1  0  0  0  0 
 56 54  1  0  0  0  0 
 57 55  1  0  0  0  0 
 57 56  1  0  0  0  0 
 52 50  1  6  0  0  0 
  5 58  1  6  0  0  0 
  3 59  1  1  0  0  0 
  1 60  1  1  0  0  0 
 16 61  1  1  0  0  0 
 14 63  1  1  0  0  0 
 64 63  1  0  0  0  0 
 15 14  1  0  0  0  0 
 15 62  1  6  0  0  0 
 13 65  1  6  0  0  0 
 23 66  1  0  0  0  0 
 23 67  1  0  0  0  0 
 21 68  1  6  0  0  0 
 20 69  1  1  0  0  0 
 24 70  1  1  0  0  0 
 30 71  1  1  0  0  0 
 28 72  1  1  0  0  0 
 29 73  1  6  0  0  0 
 34 74  1  6  0  0  0 
 47 75  1  6  0  0  0 
 45 76  1  1  0  0  0 
 46 77  1  6  0  0  0 
 54 78  1  1  0  0  0 
 56 79  1  6  0  0  0 
 57 80  1  1  0  0  0 
 81 82  1  0  0  0  0 
 55 81  1  6  0  0  0 
 55 53  1  0  0  0  0 
 26 83  1  6  0  0  0 
S  SKP  5 
ID	Ginsenoside Rb1 
FORMULA	C54H92O23 
EXACTMASS	1108.60293925 
AVERAGEMASS	1109.29448 
SMILES	C(OC(O8)(C(C(C(O)C8CO)O)OC(O7)(C(O)C(C(C7CO)O)O)[H])[H])(C1(C)C)CCC(C)(C2([H])6)C([H])(CCC2(C)C(C3([H])C(O)C6)(C)CCC(C(C)(OC(C5O)OC(C(C5O)O)COC(O4)C(C(O)C(O)C(CO)4)O)CCC=C(C)C)([H])3)1 
M  END