Mrv0541 02241412002D          

 20 19  0  0  0  0            999 V2000
    4.9656   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1077   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6787   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0357    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4647    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1791   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8936    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3225    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7515    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4660   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  1  0  0  0  0
  3  4  1  0  0  0  0
 14 15  1  0  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  2  0  0  0  0
  8  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4  5  1  0  0  0  0
  1 19  1  0  0  0  0
  9 10  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
> <ID>
CHEBI:29479

> <NAME>
methyl 3-hydroxypalmitate

> <DEFINITION>
A  fatty acid methyl ester of 3-hydroxypalmitic acid.

> <STAR>
3

> <SYNONYM>
3-Hydroxy-palmitic acid methyl ester

> <IUPAC_NAME>
methyl 3-hydroxyhexadecanoate

> <FORMULA>
C17H34O3

> <MASS>
286.45010

> <MONOISOTOPIC_MASS>
286.25079

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCC(O)CC(=O)OC

> <INCHI>
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3

> <INCHIKEY>
YBTWUESFQWFDMR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1873750

> <CAS_REGISTRY_NUMBER>
51883-36-4

> <REAXYS_REGISTRY_NUMBER>
1873750

> <CHEMIDPLUS>
51883-36-4

> <KEGG_COMPOUND_ACCESSION>
C11849

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01050427

$$$$