Mol:FL2FDBNS0001

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FL2FDBNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.4308    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4308   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2056   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2056    0.1104    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7619    0.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3505    0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9175    0.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4845    0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4845    1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9175    1.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3505    1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7619   -1.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0735    1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7880    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7880    0.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2880    1.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3109   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5964   -1.4262    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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   -2.3109   -1.0137 
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    -2.788    0.7291 
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    2.0735    1.4262 
S  SKP  8 
ID	FL2FDBNS0001 
KNApSAcK_ID	C00008229 
NAME	Naringenin trimethyl ether 
CAS_RN	38302-15-7 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	c(C(C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 
M  END
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