Mrv0541 01261516102D          

 14 13  0  0  0  0            999 V2000
    0.2382  -12.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2382  -13.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763  -12.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763  -13.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908  -12.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1908  -13.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527  -12.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671  -12.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526  -13.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671  -13.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816  -12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814  -13.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816  -11.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972  -12.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  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
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <ID>
CHEBI:27836

> <NAME>
dodecanal

> <DEFINITION>
A long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4679; CHEBI:23873; CHEBI:84068

> <SYNONYM>
n-lauraldehyde; n-dodecylic aldehyde; n-dodecyl aldehyde; n-dodecanal; Laurylaldehyde; lauryl aldehyde; lauric aldehyde; dodecyl aldehyde; dodecanaldehyde; dodecanal

> <IUPAC_NAME>
lauraldehyde

> <FORMULA>
C12H24O

> <MASS>
184.31840

> <MONOISOTOPIC_MASS>
184.18272

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCC=O

> <INCHI>
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

> <INCHIKEY>
HFJRKMMYBMWEAD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112-54-9

> <REAXYS_REGISTRY_NUMBER>
1703917

> <CHEMIDPLUS>
112-54-9

> <KEGG_COMPOUND_ACCESSION>
C02278

> <KNAPSACK_ACCESSION>
C00030644

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA06000071

> <METACYC_ACCESSION>
CPD-7880

> <WIKIPEDIA_ACCESSION>
Dodecanal

> <PUBMED_CITATION>
25182942; 25204054; 25340465; 25420073; 25577087; 25598627

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