Mol:FL3FE9NS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6796    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6796   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5670    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5368    1.6360    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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
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   -2.0368      0.77
S  SKP  8
ID	FL3FE9NS0003
KNApSAcK_ID	C00003805
NAME	Negletein
CAS_RN	29550-13-8
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c1)c(O)c(O)c(C(=O)3)c1OC(=C3)c(c2)cccc2
M  END

</pre>