Mol:FL3FFLGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 38 41  0  0  0  0  0  0  0  0999 V2000 
   -0.6887    0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6887    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2377   -0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2134    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2134    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2377    0.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6645   -0.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1155    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1155    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6645    0.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8362   -0.5315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5664    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0262    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4859    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4859    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0262    1.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5664    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2377   -0.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4859    1.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3939   -1.1133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -1.8783   -1.7940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.1358   -1.5052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.4194   -1.4975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.9400   -0.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6984   -1.2491    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.9704   -1.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6821   -1.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7104   -2.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2092    2.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7093    2.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3075   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7201    0.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2560    2.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6444    3.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0460    1.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5461    2.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0011    1.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3992    2.3458    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 
 15 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 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 18  1  0  0  0  0 
 17 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 
 16 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
  1 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
  6 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  31  32 
M  SBL   5  1  34 
M  SMT   5  CH2OH 
M  SVB   5 34    -1.994   -0.4417 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  37  38 
M  SBL   4  1  40 
M  SMT   4  OCH3 
M  SVB   4 40    0.0011    1.4284 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  35  36 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SVB   3 38    -1.046    1.2776 
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     2.256    2.2194 
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    1.2092    2.0276 
S  SKP  8 
ID	FL3FFLGS0001 
KNApSAcK_ID	C00004477 
NAME	5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside 
CAS_RN	113963-42-1 
FORMULA	C25H28O13 
EXACTMASS	536.152990982 
AVERAGEMASS	536.48202 
SMILES	[C@@H]([C@H]4O)(OC(CO)[C@H](O)[C@@H]4O)Oc(c12)cc(c(c1OC(c(c3)c(c(c(O)c3)OC)OC)=CC2=O)OC)OC 
M  END