Mol:FL5FGLNS0001

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6128    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5716   -0.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7410    1.6360    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
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  29
M  SMT   4  OCH3
M  SVB   4 29    -2.241      0.77
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   -2.5983   -0.3996
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    0.5403   -0.6973
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   -1.0494    1.0455
S  SKP  8
ID	FL5FGLNS0001
KNApSAcK_ID	C00004781
NAME	5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
CAS_RN	70368-15-9
FORMULA	C19H18O9
EXACTMASS	390.095082174
AVERAGEMASS	390.34082
SMILES	O(C(c(c3)c(O)cc(O)c3)=1)c(c2OC)c(c(c(c2OC)OC)O)C(C1OC)=O
M  END

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