Mol:FL2FABGM0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 47  0  0  0  0  0  0  0  0999 V2000 
    0.6748    0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3875    0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6780   -0.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3948   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1074   -0.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1037    0.1607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8237   -1.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5363   -0.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5327    0.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8164    0.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1864    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9025    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6154    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6122    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8961    1.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1833    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8248   -1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0494    0.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3948   -1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0192   -1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3875    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8369    0.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4243   -0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6259    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8325   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2450    0.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0434    0.4572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4209    1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3201    0.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8730    0.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7974   -0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1991    1.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8026    1.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1139    1.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7024    1.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7024    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3971    1.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0320    1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5644    1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1599    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7185    0.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3982    0.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.8026    1.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1599    0.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  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  2  1  0  0  0  0 
  5  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  6  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  4 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  2 21  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 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 14 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 25 18  1  0  0  0  0 
 34 28  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  2  0  0  0  0 
 35 37  1  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 38 41  1  0  0  0  0 
 38 42  1  0  0  0  0 
 40 43  1  0  0  0  0 
 40 44  2  0  0  0  0 
S  SKP  8 
ID	FL2FABGM0005 
KNApSAcK_ID	C00014358 
NAME	Matterionate A;Matteuorienate A;5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-[6-(3-hydroxy-3-methylglutaryl)glucoside] 
CAS_RN	161161-68-8 
FORMULA	C30H36O14 
EXACTMASS	620.21050586 
AVERAGEMASS	620.59844 
SMILES	C(C4)(Oc(c3C(=O)4)c(c(c(c3O)C)OC(O2)C(O)C(O)C(C(COC(=O)CC(CC(O)=O)(C)O)2)O)C)c(c1)ccc(c1)OC 
M  END