Marvin  03150709162D          

 11 10  0  0  0  0            999 V2000
    3.5724   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.1875    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
M  END
> <ID>
CHEBI:46342

> <NAME>
undecane

> <DEFINITION>
A straight-chain alkane with 11 carbon atoms.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46341; CHEBI:32899

> <SYNONYM>
Undekan; UNDECANE; n-undecane; Hendekan; hendecane; CH3-[CH2]9-CH3

> <IUPAC_NAME>
undecane

> <FORMULA>
C11H24

> <MASS>
156.30826

> <MONOISOTOPIC_MASS>
156.18780

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCC

> <INCHI>
InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

> <INCHIKEY>
RSJKGSCJYJTIGS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1697099

> <CAS_REGISTRY_NUMBER>
1120-21-4

> <GMELIN_REGISTRY_NUMBER>
142928

> <REAXYS_REGISTRY_NUMBER>
1697099

> <CHEMIDPLUS>
1120-21-4

> <METACYC_ACCESSION>
CPD-9289

> <NIST_CHEMISTRY_WEBBOOK>
1120-21-4

> <PDBECHEM_ACCESSION>
UND

> <WIKIPEDIA_ACCESSION>
Undecane

$$$$