Mol:FL5FEGNS0014

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.2080   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5876   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334   -0.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996    0.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201    0.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3743   -0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0117    1.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    0.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983    1.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355    2.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    3.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372    3.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001    2.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132   -0.7108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323    2.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    1.8576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    2.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9724   -1.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3066    3.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7232    4.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8982   -1.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8641   -1.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7977    3.7394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0906    4.4465    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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30    1.8838   -0.0612
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   -2.5983    0.4428
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     2.241     1.127
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   -2.9555   -0.7269
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     0.183   -1.0246
S  SKP  8
ID	FL5FEGNS0014
KNApSAcK_ID	C00004834
NAME	5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone
CAS_RN	72357-40-5
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	c(c3OC)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(c(O)2)OC)OC)=O
M  END

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