447920
  CDK     0813212310

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.0930   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1 17  1  0  0  0  0 
  2 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 11  2  0  0  0  0 
 10 11  1  0  0  0  0 
 12 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:177490

> <NAME>
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzenediol

> <STAR>
2

> <SYNONYM>
ubiquinol-1; a ubiquinol

> <IUPAC_NAME>
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol

> <FORMULA>
C14H20O4

> <MASS>
252.310

> <MONOISOTOPIC_MASS>
252.13616

> <CHARGE>
0

> <SMILES>
O(C1=C(O)C(=C(C(O)=C1OC)C)CC=C(C)C)C

> <INCHI>
InChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3

> <INCHIKEY>
TVLSKGDBUQMDPR-UHFFFAOYSA-N

$$$$