Mol:FLIAQUNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1808    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245    1.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7901    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119   -0.4296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6245   -0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7369    1.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953    1.2454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222   -1.4709    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  2  0  0  0  0
 12 13  1  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  1  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    2.0224   -0.6772
S  SKP  8
ID	FLIAQUNS0001
KNApSAcK_ID	C00009953
NAME	5-Hydroxybowdichione
CAS_RN	112448-38-1
FORMULA	C16H10O7
EXACTMASS	314.042652674
AVERAGEMASS	314.2464
SMILES	COc(c3)c(=O)cc(c(=O)3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M  END

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