Mol:FLIA4ANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.0527   -0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4201   -0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2004    0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133    0.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2459    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    0.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3936    1.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8065    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4391    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6588    1.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5869    2.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9105    2.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6756    3.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7934    3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283    2.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    1.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2723   -1.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0979   -0.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3861   -1.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751    4.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4331    5.5986    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
  8 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
  1 18  1  0  0  0  0
  6 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.1039   -1.2036
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.8184    0.1019
S  SKP  8
ID	FLIA4ANS0001
KNApSAcK_ID	C00009409
NAME	Dipteryxin
CAS_RN	53948-01-9
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c(OC)1
M  END

</pre>