Mol:FL3FEGNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.8165   -0.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245   -0.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6093   -0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013    0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8941    0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    1.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9898    1.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6220   -0.1385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2747    1.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0473    3.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9336    3.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638    3.3475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305   -1.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939    3.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.4138    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
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
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    2.0624   -0.0612
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   -2.7769   -0.7269
S  SKP  8
ID	FL3FEGNS0002
KNApSAcK_ID	C00003942
NAME	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
CAS_RN	79154-47-5
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c1)c(O)c(O)cc1C(=C3)Oc(c2)c(C(=O)3)c(O)c(OC)c(O)2
M  END

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