Marvin  10260612372D          

  6  6  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:29005

> <NAME>
cyclohexane

> <DEFINITION>
An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41506; CHEBI:4009; CHEBI:23472

> <SYNONYM>
hexanaphthene; hexamethylene; hexahydrobenzene; CYCLOHEXANE; Cyclohexane; Cyclohexan

> <IUPAC_NAME>
cyclohexane

> <FORMULA>
C6H12

> <MASS>
84.15948

> <MONOISOTOPIC_MASS>
84.09390

> <CHARGE>
0

> <SMILES>
C1CCCCC1

> <INCHI>
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

> <INCHIKEY>
XDTMQSROBMDMFD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1900225

> <CAS_REGISTRY_NUMBER>
110-82-7

> <GMELIN_REGISTRY_NUMBER>
1662

> <REAXYS_REGISTRY_NUMBER>
1900225

> <CHEMIDPLUS>
110-82-7

> <DRUGBANK_ACCESSION>
DB03561

> <KEGG_COMPOUND_ACCESSION>
C11249

> <METACYC_ACCESSION>
CPD-8923

> <NIST_CHEMISTRY_WEBBOOK>
110-82-7

> <PDBECHEM_ACCESSION>
CHX

> <WIKIPEDIA_ACCESSION>
Cyclohexane

> <PUBMED_CITATION>
11234809; 24334480

$$$$