Mol:FL5FGCNS0016

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.6583   -1.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -1.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8245   -2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5197   -2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859   -2.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112   -3.2195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8738   -1.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -4.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0303   -4.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1997   -4.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7367   -5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1044   -5.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9349   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3062   -3.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1870   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975   -5.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752   -6.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4438   -5.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6159   -3.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4747   -1.0232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -1.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -2.2560    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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 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
  1 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   -2.5983     0.482
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   -2.9555   -0.6877
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   -1.4067    0.7574
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     2.241    1.1662
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    1.3907    1.7424
S  SKP  8
ID	FL5FGCNS0016
KNApSAcK_ID	C00004801
NAME	3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-3,5-dihydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN	158437-63-9
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	O(C)c(c31)c(c(c(c1C(C(O)=C(O3)c(c2)cc(c(c2)OC)OC)=O)O)OC)OC
M  END

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