Ketcher 08171510162D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
   13.0770   -5.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0770   -6.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2109   -5.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2109   -7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3448   -5.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3448   -6.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8092   -5.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8092   -6.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9431   -5.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9431   -7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6810   -5.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5404   -5.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6943   -4.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6753   -7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4131   -5.3947    0.0000 C   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
  9  7  1  0     0  0
 10  8  1  0     0  0
  1  9  1  0     0  0
  2 10  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  8 14  1  0     0  0
 12 15  1  0     0  0
M  END
> <ID>
CHEBI:87494

> <NAME>
methyl laurate

> <DEFINITION>
A fatty acid methyl ester of lauric acid.

> <STAR>
3

> <SYNONYM>
Methyl n-dodecanoate; Methyl laurinate; Methyl dodecylate; Methyl dodecanoate; Lauric acid methyl ester

> <IUPAC_NAME>
methyl dodecanoate

> <FORMULA>
C13H26O2

> <MASS>
214.34430

> <MONOISOTOPIC_MASS>
214.19328

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCC(=O)OC

> <INCHI>
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3

> <INCHIKEY>
UQDUPQYQJKYHQI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
111-82-0

> <REAXYS_REGISTRY_NUMBER>
1767780

> <CHEMIDPLUS>
111-82-0

> <NIST_CHEMISTRY_WEBBOOK>
111-82-0

> <PUBMED_CITATION>
25964351

$$$$