LMFA02000413
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  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
   -1.2993   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9053   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7740   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5114   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3801   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2488   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1175   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9861   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8548   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7235   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5923   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4610   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3297   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1984   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2488   -1.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8548    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000413

> <COMMON_NAME>
10,13-Dihydroxystearic acid

> <SYSTEMATIC_NAME>
10,13-Dihydroxyoctadecanoic acid

> <FORMULA>
C18H36O4

> <MASS>
316.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
10,13-DiHODA

> <INCHI_KEY>
NMQSHRONGDFSQZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)

> <SMILES>
C(CCCCCCCCC(O)CCC(O)CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195339

> <ABBREVIATION>
FA 18:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57471641

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1579

> <CITATION>
14870930

$$$$