LMFA01090066
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   18.9250    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6523    6.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9250    7.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1924    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4595    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7266    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9937    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2607    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5278    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950    6.5071    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.0621    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3291    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962    6.5071    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8633    6.0872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1304    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6646    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9317    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1988    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4658    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7329    6.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950    7.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962    7.3469    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8633    5.2475    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  2  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  2  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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090066

> <COMMON_NAME>
8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid

> <SYSTEMATIC_NAME>
8,12-dihydroxy-11-chloro-5Z,9Z,14Z,17Z-eicosatetraenoic acid

> <FORMULA>
C20H31ClO4

> <MASS>
370.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20:4(5Z,9Z,14Z,17Z)(8OH,11Cl,12OH)

> <INCHI_KEY>
HJEQDKXCQTVINQ-SVPNRNRPSA-N

> <INCHI>
InChI=1S/C20H31ClO4/c1-2-3-4-5-6-10-13-19(23)18(21)16-15-17(22)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,22-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15-

> <SMILES>
C(CCC/C=C\CC(O)/C=C\C(Cl)C(O)C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187860

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935813

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
94630

> <CITATION>
11958814

$$$$