Ketcher 08081615312D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    8.8428   -7.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428   -8.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -7.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -9.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1105   -7.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1105   -8.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089   -7.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5749   -7.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7088   -9.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5749   -8.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4469   -7.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  9  1  0     0  0
  8 11  1  0     0  0
M  END
> <ID>
CHEBI:28903

> <NAME>
decan-1-ol

> <DEFINITION>
A fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of ten carbon atoms.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41909; CHEBI:10605; CHEBI:23569; CHEBI:132855

> <SYNONYM>
nonylcarbinol; n-decyl alcohol; n-Decanol; n-Decanol; n-decan-1-ol; Decyl alcohol; decan-1-ol; caprinic alcohol; capric alcohol; 1-Decanol

> <IUPAC_NAME>
decan-1-ol

> <FORMULA>
C10H22O

> <MASS>
158.281

> <MONOISOTOPIC_MASS>
158.16707

> <CHARGE>
0

> <SMILES>
C(CCCCCCC)CCO

> <INCHI>
InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

> <INCHIKEY>
MWKFXSUHUHTGQN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1735221

> <CAS_REGISTRY_NUMBER>
112-30-1

> <GMELIN_REGISTRY_NUMBER>
218613

> <REAXYS_REGISTRY_NUMBER>
1735221

> <CHEMIDPLUS>
112-30-1

> <KEGG_COMPOUND_ACCESSION>
C01633

> <KNAPSACK_ACCESSION>
C00030100

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000062

> <NIST_CHEMISTRY_WEBBOOK>
112-30-1

> <PDBECHEM_ACCESSION>
DE1

> <WIKIPEDIA_ACCESSION>
1-Decanol

> <PUBMED_CITATION>
17314143; 18597345; 18601223; 27471068; 5485018

$$$$