Compound 56
  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
    0.0130    0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956    1.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    0.8386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476    2.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390    2.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911    2.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520    3.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3781    3.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1062    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8213    0.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    3.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867    3.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148    2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5299    1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    3.3673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5299    2.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2449    0.8971    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  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
  7  9  1  0  0  0  0 
 11 14  1  0  0  0  0 
 19 21  2  0  0  0  0 
M  END
> <ID>
CHEBI:144211

> <NAME>
Canarione dimethylether

> <STAR>
2

> <FORMULA>
C16H12O6

> <MASS>
300.263

> <MONOISOTOPIC_MASS>
300.063

> <CHARGE>
0

> <SMILES>
O=C1C(=O)C=C(OC)C2=C1C=C3OC(C)=CC(C3=C2OC)=O

> <INCHI>
InChI=1S/C16H12O6/c1-7-4-9(17)14-12(22-7)5-8-13(16(14)21-3)11(20-2)6-10(18)15(8)19/h4-6H,1-3H3

> <INCHIKEY>
GESAVORGYOGKOW-UHFFFAOYSA-N

$$$$