Mol:FLICQUNS0007

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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    0.0421    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    1.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1930    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -1.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7756   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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  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  2  0  0  0  0
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 15 16  1  0  0  0  0
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 15 18  2  0  0  0  0
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  1 20  1  0  0  0  0
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  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28   -1.3488    1.7359
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    0.7756   -1.3234
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    2.0247   -1.0148
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   -2.5403    1.4605
S  SKP  8
ID	FLICQUNS0007
KNApSAcK_ID	C00009746
NAME	Abruquinone C;6-Hydroxy-7,8,3',4'-tetramethoxyisoflavanquinone
CAS_RN	71593-11-8
FORMULA	C19H20O8
EXACTMASS	376.11581761599996
AVERAGEMASS	376.3573
SMILES	c(c3OC)(O)cc(c(c3OC)1)CC(c(c2=O)cc(c(c2OC)OC)=O)CO1
M  END

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