Ketcher 08242315512D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   18.7877   -7.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9217   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0557   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1897   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3237   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4576   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5916   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7256   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8595   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9935   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1275   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2615   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3954   -7.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5293   -6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
M  END
> <ID>
CHEBI:34123

> <NAME>
tridecan-1-ol

> <DEFINITION>
A long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1.

> <STAR>
3

> <SYNONYM>
tridecyl alcohol; tridecanol; n-tridecyl alcohol; n-tridecanol; n-tridecan-1-ol; 1-tridecanol; 1-hydroxytridecane

> <IUPAC_NAME>
tridecan-1-ol

> <FORMULA>
C13H28O

> <MASS>
200.366

> <MONOISOTOPIC_MASS>
200.21402

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCO

> <INCHI>
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

> <INCHIKEY>
XFRVVPUIAFSTFO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112-70-9

> <KEGG_COMPOUND_ACCESSION>
C14509

> <KNAPSACK_ACCESSION>
C00059219

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000171

> <NIST_CHEMISTRY_WEBBOOK>
112-70-9

> <WIKIPEDIA_ACCESSION>
1-Tridecanol

> <AGRICOLA_CITATION>
IND606838273

> <PUBMED_CITATION>
17314143; 17846563; 19375495; 24693417; 24763202; 25133520; 27073350; 28695387; 35599375; 36777534

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