Mol:FL5F1CNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1944   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2120    1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6534    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6716   -1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5376   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4956    0.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4956    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.2773    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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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26   -2.7769    0.4113 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    2.0624    1.0956 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    0.0044    -1.056 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20     1.212    1.6718 
S  SKP  8 
ID	FL5F1CNS0006 
KNApSAcK_ID	C00004584 
NAME	Fisetin tetramethyl ether 
CAS_RN	17093-86-6 
FORMULA	C19H18O6 
EXACTMASS	342.110338308 
AVERAGEMASS	342.34262 
SMILES	O(c12)C(c(c3)cc(OC)c(OC)c3)=C(C(c1ccc(OC)c2)=O)OC 
M  END