Mol:FL2FAANN0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 34  0  0  0  0  0  0  0  0999 V2000 
   -1.8045    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0903    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8045    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0893   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3751    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3756    1.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3396   -0.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0539    0.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0534    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3387    1.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6823    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3970    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1112    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1107    2.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3960    2.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6818    2.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3400   -0.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0889   -1.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8011    2.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5192    1.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2334    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2334    0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5192   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8011    1.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5192   -0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2337   -1.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2337   -2.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5192   -2.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8047   -2.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8047   -1.3656    0.0000 C   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  0  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 
  4 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23  3  1  0  0  0  0 
 21 24  2  0  0  0  0 
 23 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 25  1  0  0  0  0 
S  SKP  8 
ID	FL2FAANN0001 
KNApSAcK_ID	C00014282 
NAME	Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione 
CAS_RN	143228-45-9 
FORMULA	C24H18O6 
EXACTMASS	402.110338308 
AVERAGEMASS	402.39612 
SMILES	c(c12)c(O4)c(C(CC(c(c5)ccc(c5)O)4)=O)c(c1C(c(c3)cccc3)CC(=O)O2)O 
M  END