Mol:FL1C1ANM0002

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FL1C1ANM0002.png

 
 
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 22 23  0  0  0  0  0  0  0  0999 V2000 
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    1.0059   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5669   -0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1279    0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0059    0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6626   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7752    1.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2608    1.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7752   -1.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6887    0.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6887    0.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1886    1.6455    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  6 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 21 22  1  0  0  0  0 
  3 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.6887    0.7794 
S  SKP  8 
ID	FL1C1ANM0002 
KNApSAcK_ID	C00007039 
NAME	Neobavachalcone 
CAS_RN	65621-10-5 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	O=Cc(c1)c(OC)cc(O)c1C(=O)C=Cc(c2)ccc(O)c2 
M  END
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