LMFA01050081
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0015    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7160    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1450    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2884    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0028    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2884    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  2  0  0  0  0
 12 17  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA01050081

> <COMMON_NAME>
Ipurolic acid

> <SYSTEMATIC_NAME>
3,11-dihydroxy-tetradecanoic acid

> <FORMULA>
C14H28O4

> <MASS>
260.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,11-dihydroxy myristoic acid

> <INCHI_KEY>
AVKYODWULTZQPQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)

> <SMILES>
CCCC(O)CCCCCCCC(O)CC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187431

> <ABBREVIATION>
FA 14:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282923

> <LIPIDBANK_ID>
DFA0347

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$