Compound 50
  CDK     0719191930

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7203   -0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -1.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535   -1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1608   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4535    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1737   -1.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8811    0.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1737    1.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8940   -1.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867   -2.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722   -2.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7722    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1997   -3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7852   -3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924    2.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -4.0231    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 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 10 15  2  0  0  0  0 
 10 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 13 18  2  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  2  0  0  0  0 
 17 21  2  0  0  0  0 
 19 22  2  0  0  0  0 
  7  9  1  0  0  0  0 
 18 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:144197

> <NAME>
Polyporic acid

> <STAR>
2

> <FORMULA>
C18H12O4

> <MASS>
292.286

> <MONOISOTOPIC_MASS>
292.074

> <CHARGE>
0

> <SMILES>
O=C1C(O)=C(C(=O)C(=C1C2=CC=CC=C2)O)C3=CC=CC=C3

> <INCHI>
InChI=1S/C18H12O4/c19-15-13(11-7-3-1-4-8-11)16(20)18(22)14(17(15)21)12-9-5-2-6-10-12/h1-10,19,22H

> <INCHIKEY>
HZKFHDXTSAYOSN-UHFFFAOYSA-N

$$$$