42608153
  CDK     1202211636

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2236   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366    1.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -1.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -0.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049   -1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    0.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0672   -0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166    0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093   -1.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166   -1.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8922   -0.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    1.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3047    0.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3047   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0 
  2 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4  8  2  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 12  2  0  0  0  0 
  9 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:185030

> <NAME>
Curmadione

> <STAR>
2

> <IUPAC_NAME>
6-methyl-5-(2-oxobutyl)-2-propan-2-ylidenecyclohept-4-en-1-one

> <FORMULA>
C15H22O2

> <MASS>
234.339

> <MONOISOTOPIC_MASS>
234.16198

> <CHARGE>
0

> <SMILES>
O=C1CC(C(=CCC1=C(C)C)CC(=O)CC)C

> <INCHI>
InChI=1S/C15H22O2/c1-5-13(16)9-12-6-7-14(10(2)3)15(17)8-11(12)4/h6,11H,5,7-9H2,1-4H3

> <INCHIKEY>
JXBMAOPQNNTXPM-UHFFFAOYSA-N

$$$$