Mol:FL1CHYNP0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.3942    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3942   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8379   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2816   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2816    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8379    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2747   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8310   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3871   -0.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9432   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5042   -0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0652   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0652    0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5042    0.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9432    0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2747   -0.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3871   -1.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9505    0.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5068    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5068   -0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9505   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8760    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0652    0.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2743   -0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5598   -1.0542    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  9 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21  2  1  0  0  0  0 
 19 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -4.5696    2.3018 
S  SKP  8 
ID	FL1CHYNP0002 
KNApSAcK_ID	C00007002 
NAME	6'-Demethoxypraecansone B 
CAS_RN	93753-26-5 
FORMULA	C21H20O4 
EXACTMASS	336.136159128 
AVERAGEMASS	336.38109999999995 
SMILES	COc(c2C(C=C(O)c(c3)cccc3)=O)c(c(cc2)1)C=CC(C)(C)O1 
M  END