LMFA01050539
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0369   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9056   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7744   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6431   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5119   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3806   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2494   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1181   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9869   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8556   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7244   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5931   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4619   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -1.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5931    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3307   -0.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  4 19  1  6     0  0
 17 20  1  6     0  0
 18 21  1  0     0  0
M  END
> <LM_ID>
LMFA01050539

> <COMMON_NAME>
Ustilic acid B

> <SYSTEMATIC_NAME>
2R,15R,16-Trihydroxyhexadecanoic acid

> <FORMULA>
C16H32O5

> <MASS>
304.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,15,16-Trihydroxyhexadecanoic acid, (2R,15R)-; R,R-2,15,16-Trihydroxypalmitic acid

> <INCHI_KEY>
IZPRWLOIBRTQDF-HUUCEWRRSA-N

> <INCHI>
InChI=1S/C16H32O5/c17-13-14(18)11-9-7-5-3-1-2-4-6-8-10-12-15(19)16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
131839779

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$