CDK    9/10/12,15:49

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.2917   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7167   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1458   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0 
  3  1  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  3  1  0  0  0  0 
  6  2  1  0  0  0  0 
  7  1  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
 10  3  2  0  0  0  0 
 11  6  2  0  0  0  0 
 12  7  1  0  0  0  0 
 13  8  2  0  0  0  0 
 14 12  2  0  0  0  0 
 15  7  1  0  0  0  0 
 16  7  1  0  0  0  0 
 17 13  1  0  0  0  0 
 18 13  1  0  0  0  0 
  4  5  2  0  0  0  0 
M  END
> <ID>
CHEBI:67919

> <NAME>
2-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)cyclohexa-2,5-diene-1,4-dione

> <DEFINITION>
A natural product found in Sporochnus comosus and Perithalia capillaris. 

> <STAR>
2

> <SYNONYM>
2-(2-Methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1,4-benzoquinone

> <FORMULA>
C16H20O2

> <MASS>
244.32880

> <MONOISOTOPIC_MASS>
244.14633

> <CHARGE>
0

> <SMILES>
CC(C)=CCC1=CC(=O)C(=CC1=O)C(C)(C)C=C

> <INCHI>
InChI=1S/C16H20O2/c1-6-16(4,5)13-10-14(17)12(9-15(13)18)8-7-11(2)3/h6-7,9-10H,1,8H2,2-5H3

> <INCHIKEY>
IXIJAOCIIZYSQJ-UHFFFAOYSA-N

> <PUBMED_CITATION>
21348445

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