Mol:FL4DCBGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.2473    0.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7264   -0.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2055    0.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2055    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7264    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2473    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3154   -0.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8363    0.1398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.8363    0.7413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.3154    1.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3154   -0.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4160    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9447    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4734    1.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4734    1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9447    1.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4160    1.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3045   -0.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7264   -0.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3414   -1.4692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.6757   -1.9565    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -2.0298   -1.4431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.2126   -1.3305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.8783   -0.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5242   -1.3565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.7728   -1.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2743   -1.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7776   -1.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5928    1.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0684    2.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9226   -0.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9203   -0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0021    1.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7166    1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  8 18  1  1  0  0  0 
  2 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 19 23  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
  6 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 15 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -2.9226   -0.5434 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    3.0021    1.9565 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32   -1.5928    1.3803 
S  SKP  8 
ID	FL4DCBGS0002 
KNApSAcK_ID	C00008685 
NAME	Aromadendrin 7,4'-dimethyl ether  5-glucoside 
CAS_RN	41515-77-9 
FORMULA	C23H26O11 
EXACTMASS	478.147511674 
AVERAGEMASS	478.44594 
SMILES	O(C)c(c4)ccc(c4)[C@H]([C@H]3O)Oc(c1)c(C3=O)c(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)cc1OC 
M  END