Mol:FL5FF8NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -1.9945   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4382   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8819   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8819   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4382    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3256   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2307   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2307   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3256    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3256   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7868    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3538   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9208    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9208    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3538    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7868    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7868   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.6372    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3517    1.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4296    1.4577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8516    1.3481    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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  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   -2.3517     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    0.4296    1.4577 
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    1.6372    1.7424 
S  SKP  8 
ID	FL5FF8NS0005 
KNApSAcK_ID	C00004715 
NAME	3,5,8-Trihydroxy-7,2'3'-trimethoxyflavone 
CAS_RN	92585-19-8 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c1O)(OC)cc(c(C3=O)c(OC(=C3O)c(c(OC)2)cccc2OC)1)O 
M  END