Mol:FL5FAIGA0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -0.0573   -5.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5754   -5.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7950   -4.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3822   -3.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2505   -4.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4702   -4.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6018   -3.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1890   -2.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4437   -2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6634   -3.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0950   -3.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8565   -2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6325   -1.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0534   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6981   -1.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9220   -2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5012   -2.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2769   -5.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6183   -2.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0690   -0.7619    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.6814   -1.4334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.4268   -1.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1768   -1.4334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.5646   -0.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.8190   -0.9749    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8116   -0.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6454    0.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5646   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3410   -0.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4273   -4.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5386   -1.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4989   -1.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6913   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4058   -1.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2270   -0.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4007    0.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  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 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 14 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  36 
M  SMT   3  CH2OH 
M  SVB   3 36    2.6913    -1.406 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  38 
M  SMT   2  OCH3 
M  SVB   2 38    1.2751    0.0541 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34     0.782    1.8185 
S  SKP  8 
ID	FL5FAIGA0001 
KNApSAcK_ID	C00005776 
NAME	Syringetin 3-galactoside 
CAS_RN	55025-56-4 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	C(O[C@H](O4)C(O)C([C@H]([C@@H](CO)4)O)O)(C3=O)=C(Oc(c32)cc(cc2O)O)c(c1)cc(c(c1OC)O)OC 
M  END