Mol:FLIDQUNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
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   -2.1039    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1213    0.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    1.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8670   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9612    2.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837    0.4097    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  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  1  0  0  0  0
  1  2  1  0  0  0  0
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 14 18  2  0  0  0  0
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  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    1.5693    0.8222
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.4612     1.477
S  SKP  8
ID	FLIDQUNS0002
KNApSAcK_ID	C00009706
NAME	Bryaquinone
CAS_RN	57684-35-2
FORMULA	C17H12O7
EXACTMASS	328.058302738
AVERAGEMASS	328.27297999999996
SMILES	COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1
M  END

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