LMFA01050537
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0374   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9062   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7751   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5129   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3818   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2507   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1196   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9884   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8573   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7262   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5951   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4640   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3329   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2017   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3818    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2507   -1.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8573    0.7466    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
 18 19  1  0     0  0
 19 20  1  0     0  0
 11 21  1  0     0  0
 12 22  1  0     0  0
 15 23  1  0     0  0
M  END
> <LM_ID>
LMFA01050537

> <COMMON_NAME>
9,10,13-trihydroxy-Octadecanoic acid

> <SYSTEMATIC_NAME>
9,10,13-trihydroxy-Octadecanoic acid

> <FORMULA>
C18H36O5

> <MASS>
332.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroxy fatty acids [FA0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octadecanoic acid, 9,10,13-trihydroxy-

> <INCHI_KEY>
CDWBHGXGXFTKRD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030935

> <CHEBI_ID>
156190

> <ABBREVIATION>
FA 18:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45359277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$