Mol:FL3FECNS0002

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FL3FECNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.6513   -0.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3798   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.6429    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2828    0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3859    1.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7614    1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4847    2.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1675    2.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5429    1.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2910   -0.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0936   -0.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2966   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1540    3.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1330    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3910    2.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2973    3.1812    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 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 15 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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     2.241    1.1662 
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    1.3907    1.7424 
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   -2.9555   -0.6877 
S  SKP  8 
ID	FL3FECNS0002 
KNApSAcK_ID	C00003845 
NAME	Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one 
CAS_RN	22368-21-4 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O 
M  END
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