17-Oxapentacyclo6.6.5.0~2,7~.0~9,14~.0~15,19~nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
  -molcms-06102621492D

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    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2277    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2277    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  8  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <ProductName>
17-Oxapentacyclo6.6.5.0~2,7~.0~9,14~.0~15,19~nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

>  <CASNumber>
5443-16-3

>  <MolecularFormula>
C18H12O3

>  <MDLNo>
MFCD00152427

>  <MolWt>
276.29

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(OC(C12)=O)C2C3C4=CC=CC=C4C1C5=CC=CC=C35

$$$$
