Mol:FL3F3GNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.3617   -0.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2277   -0.9254    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 
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 14 15  2  0  0  0  0 
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  6 23  1  0  0  0  0 
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 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27    1.7052   -0.1318 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -1.5853    0.6476 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.7769    0.3721 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.0624    1.0564 
S  SKP  8 
ID	FL3F3GNS0002 
KNApSAcK_ID	C00004078 
NAME	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone 
CAS_RN	133342-98-0 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c1OC)(OC)ccc(C(=O)2)c(OC(c(c3)cc(c(OC)c(O)3)OC)=C2)1 
M  END