Mol:FL2FALNI0017

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Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.2001   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6792    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374   -1.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -0.3001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6374    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374   -1.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9382    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4038    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792   -1.8032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1996    1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -0.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0466    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4533    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    0.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7205    0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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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  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  2 18  1  0  0  0  0
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
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 17 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  29  30
M  SBL   3  1  31
M  SMT   3  OCH3
M  SVB   3 31     2.006    0.9253
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    0.0466    1.2361
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    0.4904   -0.4622
S  SKP  8
ID	FL2FALNI0017
KNApSAcK_ID	C00008503
NAME	Heteroflavanone C
CAS_RN	156127-36-5
FORMULA	C23H26O7
EXACTMASS	414.167853186
AVERAGEMASS	414.44834000000003
SMILES	C(Cc(c31)c(cc(c(C(=O)CC(O3)c(c(OC)2)c(OC)cc(c2)OC)1)O)O)=C(C)C
M  END

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