Mol:FL1C1LNI0001

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FL1C1LNI0001.png

 
 
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 25 26  0  0  0  0  0  0  0  0999 V2000 
    2.0086    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0086   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5649   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1212   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1212    0.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5649    0.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7516   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3079   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1955   -0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3654    0.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1955   -0.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3654    0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9181    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4707    0.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4707    0.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9181   -0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5649   -0.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6773    0.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0233   -0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5746    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1259   -0.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6773    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1259   -0.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0233    0.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9181   -0.9477    0.0000 O   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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
 10 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 10  1  0  0  0  0 
  3 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 16 25  1  0  0  0  0 
S  SKP  8 
ID	FL1C1LNI0001 
KNApSAcK_ID	C00007091 
NAME	Morachalcone A 
CAS_RN	76472-88-3 
FORMULA	C20H20O5 
EXACTMASS	340.13107375 
AVERAGEMASS	340.3698 
SMILES	Oc(c2)cc(O)c(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=C(C)C 
M  END
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