Mrv0541 06251414382D          

 17 16  0  0  0  0            999 V2000
   -1.9535  -27.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402  -29.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402  -28.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547  -29.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547  -28.0195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6692  -29.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692  -28.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5258  -29.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870  -29.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837  -29.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981  -29.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836  -28.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981  -28.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054  -29.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173  -29.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343  -29.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121  -28.4289    0.0000 O   0  0  0  0  0  0  0  0  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
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
  5  1  1  6  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <ID>
CHEBI:78989

> <NAME>
(13R)-13-hydroxymyristic acid

> <DEFINITION>
An (ω−1)-hydroxy fatty acid that is myristic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group.

> <STAR>
3

> <IUPAC_NAME>
(13R)-13-hydroxytetradecanoic acid

> <FORMULA>
C14H28O3

> <MASS>
244.37030

> <MONOISOTOPIC_MASS>
244.20384

> <CHARGE>
0

> <SMILES>
C[C@@H](O)CCCCCCCCCCCC(O)=O

> <INCHI>
InChI=1S/C14H28O3/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1

> <INCHIKEY>
KNFJWKJXKURGQU-CYBMUJFWSA-N

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