ChEBI
  Marvin  10070522292D          

  7  7  0  0  0  0            999 V2000
    0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0000    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  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  7  1  0  0  0  0
M  END
> <ID>
CHEBI:18099

> <NAME>
cyclohexanol

> <DEFINITION>
An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41739; CHEBI:4013; CHEBI:14051; CHEBI:23471

> <SYNONYM>
Hydroxycyclohexane; Hydrophenol; Hexalin; Hexahydrophenol; Cyclohexyl alcohol; cyclohexanol; Cyclohexanol; Cyclohexan-1-ol; 1-Cyclohexanol

> <IUPAC_NAME>
cyclohexanol

> <FORMULA>
C6H12O

> <MASS>
100.15888

> <MONOISOTOPIC_MASS>
100.08882

> <CHARGE>
0

> <SMILES>
OC1CCCCC1

> <INCHI>
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

> <INCHIKEY>
HPXRVTGHNJAIIH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
108-93-0

> <REAXYS_REGISTRY_NUMBER>
906744

> <CHEMIDPLUS>
108-93-0

> <DRUGBANK_ACCESSION>
DB03703

> <KEGG_COMPOUND_ACCESSION>
C00854

> <METACYC_ACCESSION>
CYCLOHEXANOL

> <NIST_CHEMISTRY_WEBBOOK>
108-93-0

> <PDBECHEM_ACCESSION>
CXL

> <WIKIPEDIA_ACCESSION>
Cyclohexanol

> <PUBMED_CITATION>
11682644; 23825601

$$$$