Mol:FL3FGCGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -0.2873   -1.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1433   -1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6328   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7233   -0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3242   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1652   -0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2126   -0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3031   -0.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9041    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4146    0.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6048   -0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9945    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4933    0.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5855    1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1789    1.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6801    1.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5879    1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0309   -1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6083   -0.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2239    2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1716    1.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9170    2.0516    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.2486    1.2648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6273    0.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.2624    0.1495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.0717    0.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6868    1.3814    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.4935    2.3845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6844    1.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0331    0.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0760    1.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3348    2.9581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0003   -1.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9754   -1.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4170   -1.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1883   -2.5629    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 
  3 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 21 16  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
  1 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
  2 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  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34    -1.076    1.9922 
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   -1.7738   -1.4723 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  OCH3 
M  SVB   1 36   -1.4004   -0.3954 
S  SKP  8 
ID	FL3FGCGS0003 
KNApSAcK_ID	C00004439 
NAME	5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone 8-glucoside 
CAS_RN	93290-68-7 
FORMULA	C23H24O13 
EXACTMASS	508.121690854 
AVERAGEMASS	508.42886 
SMILES	O(C)c(c(OC)3)c(O)c(c2c3O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)C(=O)C=C(O2)c(c1)ccc(c1O)O 
M  END