Marvin  05020810432D          

 20 19  0  0  0  0            999 V2000
   -4.9687    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5398    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8253    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1109    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6819    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0325    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8904    0.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0338    0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    0.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    0.5062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3194    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615    0.5062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4615    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964    0.5062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3964    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2543    0.5062    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2543    1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
 19  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 17  1  0  0  0  0
 17  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
 15  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:49189

> <NAME>
pristanal

> <STAR>
3

> <SYNONYM>
2,6,10,14-tetramethylpentadecanal

> <IUPAC_NAME>
2,6,10,14-tetramethylpentadecanal

> <FORMULA>
C19H38O

> <MASS>
282.50442

> <MONOISOTOPIC_MASS>
282.29227

> <CHARGE>
0

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCCC(C)C=O

> <INCHI>
InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3

> <INCHIKEY>
IZJRIIWUSIGEAJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2089300

$$$$