Marvin  06150613472D          

  9  8  0  0  0  0            999 V2000
   -2.8579   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    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
M  END
> <ID>
CHEBI:32892

> <NAME>
nonane

> <DEFINITION>
A straight chain alkane composed of 9 carbon atoms.

> <STAR>
3

> <SYNONYM>
Nonan; n-nonane; CH3-[CH2]7-CH3

> <IUPAC_NAME>
nonane

> <FORMULA>
C9H20

> <MASS>
128.25510

> <MONOISOTOPIC_MASS>
128.15650

> <CHARGE>
0

> <SMILES>
CCCCCCCCC

> <INCHI>
InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

> <INCHIKEY>
BKIMMITUMNQMOS-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1696917

> <CAS_REGISTRY_NUMBER>
111-84-2

> <GMELIN_REGISTRY_NUMBER>
240576

> <REAXYS_REGISTRY_NUMBER>
1696917

> <CHEMIDPLUS>
111-84-2

> <KNAPSACK_ACCESSION>
C00034882

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA11000579

> <NIST_CHEMISTRY_WEBBOOK>
111-84-2

> <PUBMED_CITATION>
23822267

$$$$