Mol:FLIAALNP0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.7296    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7296   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733   -0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6170   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6170    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733    0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607   -0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4956   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4956    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607    0.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0517   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0517   -1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6464   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2412   -1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2412   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6464   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607   -1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    0.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8354   -1.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733    1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7294    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6464    0.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8354    0.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6098   -0.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8953   -1.3236    0.0000 C   0  0  0  0  0  0  0  0  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 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 16 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 18  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1 OCH3 
M  SBV   1 29   -5.1526    4.6724 
S  SKP  8 
ID	FLIAALNP0013 
KNApSAcK_ID	C00009906 
NAME	Barpisoflavone C 
CAS_RN	104703-89-1 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	COc(c23)cc(O1)c(c2OC=C(c(c4)c(O)cc(O)c4)C3=O)C=CC(C)(C)1 
M  END