Mol:FL5F1GNS0002

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FL5F1GNS0002.png

 
 
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 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.2827   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2827   -0.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7264   -1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6138    0.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6138   -1.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4986    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0655   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    0.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6325    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0655    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4986    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552   -0.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6400    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2552    0.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8085   -1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6745   -1.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8063    1.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5816    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6400    0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1401    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 
 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 
 14 18  1  0  0  0  0 
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  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 16 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  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  28 
M  SMT   3  OCH3 
M  SVB   3 28     -2.64    0.4113 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    1.3489    1.6718 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    0.1527   -1.0348 
S  SKP  8 
ID	FL5F1GNS0002 
KNApSAcK_ID	C00005049 
NAME	Kanugin 
CAS_RN	574-03-8 
FORMULA	C19H16O7 
EXACTMASS	356.089602866 
AVERAGEMASS	356.32614 
SMILES	c(c12)c(C(O4)=C(C(c(c43)ccc(OC)c3)=O)OC)cc(c1OCO2)OC 
M  END
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