Mol:FL3FG8NS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.6796   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1233   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1233    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5456   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5456    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1017    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5349    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9521   -0.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8452    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    1.9451    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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 21  1  0  0  0  0
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  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27   -0.8452    1.0455
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25   -2.0368      0.77
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    1.2376   -0.0186
S  SKP  8
ID	FL3FG8NS0006
KNApSAcK_ID	C00003924
NAME	5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
CAS_RN	72424-41-0
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c(C(O2)=CC(c(c3O)c2c(c(c3O)OC)OC)=O)1)(OC)cccc1O
M  END

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