Mol:FL2FALNI0025

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 39  0  0  0  0  0  0  0  0999 V2000 
   -1.0700   -1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5491   -1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0283   -1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0283   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5491   -0.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0700   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4926   -1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0135   -1.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0135   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4926   -0.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5339   -0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4926   -2.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0682   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6026   -0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6026   -0.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0682    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5339   -0.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5491   -2.5847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0004    0.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0682   -1.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1361    0.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5491    0.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0700    0.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6064   -2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1168   -1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6264   -2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1361   -1.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0700    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6690    1.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6690    0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2680    0.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6690   -0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6264   -2.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4969   -0.8352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6690    2.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2668    2.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0712    2.6691    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 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  5 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 23 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 30 32  1  0  0  0  0 
 26 33  1  0  0  0  0 
  6 34  1  0  0  0  0 
 29 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 35 37  1  0  0  0  0 
S  SKP  8 
ID	FL2FALNI0025 
KNApSAcK_ID	C00008539 
NAME	Exiguaflavanone J 
CAS_RN	156281-20-8 
FORMULA	C30H36O7 
EXACTMASS	508.246103506 
AVERAGEMASS	508.60264000000006 
SMILES	O(C2c(c(O)3)c(O)cc(O)c3)c(c(CC(C(C)=C)CC=C(C)C)1)c(C(C2)=O)c(c(c1O)CC=C(C)C)O 
M  END