Mrv0541 07101415172D          

 34 35  0  0  0  0            999 V2000
    3.8511  -11.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511  -12.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656  -11.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800  -11.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511   -9.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076  -11.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221  -11.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366  -11.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2800   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091   -9.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1380   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8525  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5670   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5670   -9.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2814  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9959   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7104  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4250   -9.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1393  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8538   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5684  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2828   -9.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2828   -9.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9973  -10.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7118   -9.9772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <ID>
CHEBI:78278

> <NAME>
omega-hydroxymenaquinone-4

> <DEFINITION>
A prenylnaphthoquinone obtained by hydroxylation of one of the terminal methyl groups of menaquinone-4.

> <STAR>
3

> <SYNONYM>
omega-hydroxymenaquinone-4

> <IUPAC_NAME>
2-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-3-methyl-1,4-naphthoquinone

> <FORMULA>
C31H40O3

> <MASS>
460.64750

> <MONOISOTOPIC_MASS>
460.29775

> <CHARGE>
0

> <SMILES>
C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O

> <INCHI>
InChI=1S/C31H40O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,12-13,16-19,32H,8-11,14-15,20-21H2,1-5H3/b22-13+,23-12+,24-19+,25-16+

> <INCHIKEY>
RPXZMNAKSDAWRS-PUTDXGHDSA-N

> <REAXYS_REGISTRY_NUMBER>
10740527

> <PUBMED_CITATION>
24138531

$$$$