CDK     1018121543

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.4774   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1919   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1932   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9077   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6221   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3366   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0511   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7655   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4800   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1945   -6.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774   -4.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629   -6.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629   -6.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  1 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:69187

> <NAME>
Methyl palmitate

> <DEFINITION>
A natural product found in Neolitsea daibuensis. 

> <STAR>
2

> <SYNONYM>
Methyl palmitic acid; Methyl palmitate; Methyl hexadecanoate; methyl hexadecanoate; Hexadecanoic acid methyl ester; Hexadecanoate methyl ester

> <FORMULA>
C17H34O2

> <MASS>
270.45070

> <MONOISOTOPIC_MASS>
270.25588

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC

> <INCHI>
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3

> <INCHIKEY>
FLIACVVOZYBSBS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
112-39-0

> <KEGG_COMPOUND_ACCESSION>
C16995

> <PUBMED_CITATION>
118159; 12143008; 12872920; 12939035; 13018208; 13827622; 1707612; 21240761; 22148193; 24421258; 3833822; 8130610

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