Mol:FLICQUNS0001

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FLICQUNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8752    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    1.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    1.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    1.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739   -0.5563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267    0.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549    0.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628    0.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -1.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -1.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -1.5150    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.6609   -0.7211
S  SKP  8
ID	FLICQUNS0001
KNApSAcK_ID	C00002511
NAME	Bowdichione
CAS_RN	53774-75-7
FORMULA	C16H10O6
EXACTMASS	298.047738052
AVERAGEMASS	298.24699999999996
SMILES	COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

</pre>

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