Mol:FL3FFGNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8633   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3616   -0.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2276   -0.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1488    1.6179    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 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 15 16  1  0  0  0  0 
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  6 26  1  0  0  0  0 
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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   -1.5853    0.7182 
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    1.7052   -0.0612 
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    2.0624     1.127 
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   -2.7769    0.4428 
S  SKP  8 
ID	FL3FFGNS0004 
KNApSAcK_ID	C00003960 
NAME	5,3'-Dihydroxy-7,8,4',5'-tetramethoxyflavone 
CAS_RN	63529-08-8 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c(OC)1)(OC)cc(C(O2)=CC(c(c(O)3)c2c(c(OC)c3)OC)=O)cc1O 
M  END