Mol:FL5FDDNM0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.0624   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0624   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8528    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0288   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8949   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0107    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9197    1.3480    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 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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  3 18  1  0  0  0  0 
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  6 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
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 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.4197     0.482 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.5693    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    0.3617   -0.9854 
S  SKP  8 
ID	FL5FDDNM0003 
KNApSAcK_ID	C00004900 
NAME	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone 
CAS_RN	- 
FORMULA	C19H18O7 
EXACTMASS	358.10525293 
AVERAGEMASS	358.34202000000005 
SMILES	c(c1C)(OC)cc(c(C2=O)c(OC(c(c3)cc(OC)c(O)c3)=C2OC)1)O 
M  END