Marvin  06150613542D          

 14 13  0  0  0  0            999 V2000
    3.9296   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9296    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6441   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <ID>
CHEBI:41253

> <NAME>
tetradecane

> <DEFINITION>
A straight chain alkane consisting of 14 carbon atoms.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41252; CHEBI:32907

> <SYNONYM>
Tetradekan; tetradecane; TETRADECANE; n-tetradecane; CH3-[CH2]12-CH3

> <IUPAC_NAME>
tetradecane

> <FORMULA>
C14H30

> <MASS>
198.38800

> <MONOISOTOPIC_MASS>
198.23475

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

> <INCHIKEY>
BGHCVCJVXZWKCC-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1733859

> <CAS_REGISTRY_NUMBER>
629-59-4

> <GMELIN_REGISTRY_NUMBER>
69263

> <REAXYS_REGISTRY_NUMBER>
1733859

> <CHEMIDPLUS>
629-59-4

> <DRUGBANK_ACCESSION>
DB03563

> <KNAPSACK_ACCESSION>
C00035879

> <NIST_CHEMISTRY_WEBBOOK>
629-59-4

> <PDBECHEM_ACCESSION>
C14

> <PUBMED_CITATION>
19660770; 19712193

$$$$