Mol:FL3FA9NI0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.7102   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7102   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1539   -1.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5976   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5976   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1539   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0413   -1.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5150   -0.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5150   -0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0413   -0.0038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0413   -1.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0711   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6381   -0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2051   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2051    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6381    0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0711    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1539    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7100    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7100    1.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2234    1.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2051    1.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0674    0.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5674    1.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5903   -1.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8758   -1.8615    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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 20 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27   -1.5903    -1.449 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.0674    0.2938 
S  SKP  8 
ID	FL3FA9NI0004 
KNApSAcK_ID	C00004015 
NAME	trans-Anhydrotephrostachin 
CAS_RN	80377-44-2 
FORMULA	C22H20O4 
EXACTMASS	348.136159128 
AVERAGEMASS	348.3918 
SMILES	C(C)(=C)C=Cc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)=CC(=O)1 
M  END