Ketcher 08251617542D 1   1.00000     0.00000     0

 12 11  0     0  0            999 V2000
   20.0348   -8.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0348   -9.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1687   -8.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1687  -10.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3027   -8.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3027   -9.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9008   -8.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7667   -8.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9007  -10.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7667   -9.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6328   -8.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6329   -7.4941    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
 11 12  1  0     0  0
M  END
> <ID>
CHEBI:87499

> <NAME>
undecan-1-ol

> <DEFINITION>
A primary alcohol that is undecane substituted by a hydroxy group at position 1.

> <STAR>
3

> <SYNONYM>
undecyl alcohol; undecanol; undecan-1-ol; n-undecyl alcohol; n-undecan-1-ol; n-hendecylenic alcohol; hendecyl alcohol; hendecanoic alcohol; FEMA 3097; 1-undecyl alcohol; 1-undecanol; 1-hydroxyundecane; 1-hendecanol

> <IUPAC_NAME>
undecan-1-ol

> <FORMULA>
C11H24O

> <MASS>
172.308

> <MONOISOTOPIC_MASS>
172.18272

> <CHARGE>
0

> <SMILES>
C(CCCCCCC)CCCO

> <INCHI>
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3

> <INCHIKEY>
KJIOQYGWTQBHNH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112-42-5

> <REAXYS_REGISTRY_NUMBER>
1698334

> <CHEMIDPLUS>
112-42-5

> <KNAPSACK_ACCESSION>
C00019556

> <METACYC_ACCESSION>
CPD-17288

> <NIST_CHEMISTRY_WEBBOOK>
112-42-5

> <WIKIPEDIA_ACCESSION>
Undecanol

> <AGRICOLA_CITATION>
IND607566356

> <PUBMED_CITATION>
22718499; 23719708; 35481694; 37121139; 37297429; 37418905; 6020567

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