Mol:FL1C1ANI0008

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
    1.1815   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1815   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7378   -1.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2941   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2941   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7378    0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0755   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4808   -1.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6316   -1.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1926   -0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6316   -1.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1926   -0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452    0.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2978   -0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2978   -0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452   -1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8504    0.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452   -1.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8504    0.0101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452    0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2965    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2965    1.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8479    1.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7452    1.9214    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
 17  5  1  0  0  0  0 
 18 16  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANI0008 
KNApSAcK_ID	C00007068 
NAME	Broussochalcone B 
CAS_RN	28448-85-3 
FORMULA	C20H20O4 
EXACTMASS	324.136159128 
AVERAGEMASS	324.37039999999996 
SMILES	Oc(c2)ccc(c2)C=CC(=O)c(c1)c(cc(O)c1CC=C(C)C)O 
M  END