Mrv0541 07111417302D          

 19 18  0  0  0  0            999 V2000
   -1.1634  -19.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1634  -20.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779  -18.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779  -20.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924  -19.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924  -20.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489  -18.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656  -19.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489  -20.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656  -20.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801  -18.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945  -19.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9799  -20.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944  -20.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4089  -18.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232  -19.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087  -20.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4064  -17.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221  -20.0539    0.0000 O   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 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <ID>
CHEBI:79170

> <NAME>
(2E)-16-hydroxyhexadec-2-enoic acid

> <DEFINITION>
An ω-hydroxy fatty acid that is trans-2-hexadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.

> <STAR>
3

> <SYNONYM>
trans-16-hydroxyhexadec-2-enoic acid

> <IUPAC_NAME>
(2E)-16-hydroxyhexadec-2-enoic acid

> <FORMULA>
C16H30O3

> <MASS>
270.40760

> <MONOISOTOPIC_MASS>
270.21949

> <CHARGE>
0

> <SMILES>
OCCCCCCCCCCCCC\C=C\C(O)=O

> <INCHI>
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h12,14,17H,1-11,13,15H2,(H,18,19)/b14-12+

> <INCHIKEY>
YSNNTXAJZMWJCI-WYMLVPIESA-N

> <REAXYS_REGISTRY_NUMBER>
18655792

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