Marvin  03030909212D          

 23 23  0  0  0  0            999 V2000
   -2.9759    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759    0.9723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9759   -2.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048   -1.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048    0.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470    0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5470   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048    0.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4048   -2.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7399   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688   -1.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  2  0  0  0  0
  4  8  2  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:52020

> <NAME>
6-decylubiquinone

> <DEFINITION>
A member of the class of 1,4-benzoquinones that is 2,3-dimethoxybenzoquinone which has been substituted at positions 5 and 6 by decyl and methyl groups.

> <STAR>
3

> <SYNONYM>
Decylubiquinone; Decyl-ubiquinone; 6-Decylubiquinone; 6-decylubiquinone; 2,3-Dmdb; 2,3-Dimethoxy-5-methyl-6-decyl-1,4-benzoquinone

> <IUPAC_NAME>
2-decyl-5,6-dimethoxy-3-methyl-1,4-benzoquinone

> <FORMULA>
C19H30O4

> <MASS>
322.43910

> <MONOISOTOPIC_MASS>
322.21441

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O

> <INCHI>
InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3

> <INCHIKEY>
VMEGFMNVSYVVOM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5070396

> <CAS_REGISTRY_NUMBER>
55486-00-5

> <CHEMIDPLUS>
55486-00-5

> <KEGG_COMPOUND_ACCESSION>
C15494

> <PDBECHEM_ACCESSION>
DCQ

$$$$