Mol:FL5FGGNS0002

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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   -1.9950   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4388   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8824   -2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262   -1.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8725   -2.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2299   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2299   -3.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -3.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3639   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3638   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969   -2.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4388   -0.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5511   -1.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968   -4.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -2.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472   -0.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8824   -3.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9306   -3.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9307   -4.7585    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  28  29
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30     2.241     1.127
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28   -2.9555   -0.7269
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26     0.183   -1.0246
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.4067    0.7182
S  SKP  8
ID	FL5FGGNS0002
KNApSAcK_ID	C00004859
NAME	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
CAS_RN	78516-78-6
FORMULA	C19H18O10
EXACTMASS	406.089996796
AVERAGEMASS	406.34022000000004
SMILES	c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)c1
M  END

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