Mol:FL3F98NS0012

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FL3F98NS0012.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6004   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6004   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685    0.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3149   -0.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3068   -0.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3168   -0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0313   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8237    1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3237    2.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -1.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -2.9925    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 
  2 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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   -1.4805    -1.153 
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    0.8237    1.5655 
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    1.3168   -0.1989 
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   -2.3149   -0.5799 
S  SKP  8 
ID	FL3F98NS0012 
KNApSAcK_ID	C00003857 
NAME	Zapotin;2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	14813-19-5 
FORMULA	C19H18O6 
EXACTMASS	342.110338308 
AVERAGEMASS	342.34262 
SMILES	c(c1OC)(OC)ccc(O2)c(C(=O)C=C2c(c(OC)3)c(OC)ccc3)1 
M  END
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