6111564
  CDK     1209211503

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.0789   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  4  2  0  0  0  0 
  3  6  1  0  0  0  0 
  3  9  1  0  0  0  0 
  5  8  2  0  0  0  0 
  6  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
M  END
> <ID>
CHEBI:188104

> <NAME>
RETUSOQUINONE

> <STAR>
2

> <IUPAC_NAME>
(4Z)-2-methyl-4-(2-methylprop-2-enylidene)cyclohexa-2,5-dien-1-one

> <FORMULA>
C11H12O

> <MASS>
160.216

> <MONOISOTOPIC_MASS>
160.08882

> <CHARGE>
0

> <SMILES>
O=C1C(=C/C(/C=C1)=C\C(C)=C)C

> <INCHI>
InChI=1S/C11H12O/c1-8(2)6-10-4-5-11(12)9(3)7-10/h4-7H,1H2,2-3H3/b10-6-

> <INCHIKEY>
URRXOUHZIHBLGJ-POHAHGRESA-N

$$$$