LMFA01090057
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.1762    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8870    5.8254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1762    7.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4603    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0277    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3115    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5952    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8789    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1627    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4464    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7302    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4326    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0139    6.2358    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2976    5.8254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0139    7.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2976    5.0000    0.0000 Cl  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 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090057

> <COMMON_NAME>
11-hydroxy-12-chloro-octadecanoic acid

> <SYSTEMATIC_NAME>
11-hydroxy-12-chloro-octadecanoic acid

> <FORMULA>
C18H35ClO3

> <MASS>
334.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18:0(11OH,12Cl)

> <INCHI_KEY>
LFMFCAVRKLJSLW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H35ClO3/c1-2-3-4-10-13-16(19)17(20)14-11-8-6-5-7-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)

> <SMILES>
C(CCCCCCCCCC(O)C(Cl)CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56625344

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
6145

> <CITATION>
11958814

$$$$