Marvin  05231313122D          

 13 12  0  0  0  0            999 V2000
   41.6530   -7.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5011   -6.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3493   -7.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1975   -6.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3494   -8.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1977   -9.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0458   -7.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0459   -8.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8941   -6.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7425   -7.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8944   -9.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7427   -8.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5013   -9.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
> <ID>
CHEBI:28878

> <NAME>
dodecan-1-ol

> <DEFINITION>
A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39605; CHEBI:4678; CHEBI:19040; CHEBI:23861

> <SYNONYM>
undecyl carbinol; n-lauryl alcohol; n-dodecyl alcohol; n-dodecanol; n-dodecan-1-ol; lauryl alcohol; lauroyl alcohol; laurinic alcohol; lauric alcohol; dodecylalcohol; dodecyl alcohol; dodecanol; dodecan-1-ol; 1-hydroxydodecane; 1-dodecyl alcohol; 1-dodecanol

> <IUPAC_NAME>
dodecan-1-ol

> <FORMULA>
C12H26O

> <MASS>
186.33420

> <MONOISOTOPIC_MASS>
186.19837

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCO

> <INCHI>
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

> <INCHIKEY>
LQZZUXJYWNFBMV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112-53-8

> <REAXYS_REGISTRY_NUMBER>
1738860

> <CHEMIDPLUS>
112-53-8

> <DRUGBANK_ACCESSION>
DB06894

> <KEGG_COMPOUND_ACCESSION>
C02277

> <KNAPSACK_ACCESSION>
C00030152

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA05000001

> <METACYC_ACCESSION>
CPD-7867

> <NIST_CHEMISTRY_WEBBOOK>
112-53-8

> <PDBECHEM_ACCESSION>
1DO

> <WIKIPEDIA_ACCESSION>
Dodecanol

> <PUBMED_CITATION>
15867966; 21485271; 22575842; 23540203; 29180361; 30511874; 31942998; 32418321; 33123751; 33185090; 33260827; 34778795; 7812439

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