LMFA02000227
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   18.0820    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3675    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6529    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9385    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2240    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5095    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3675    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7950    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0805    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6515    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8265    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1121    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3975    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  2  0  0  0  0
  8  6  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 10 21  1  6  0  0  0
M  END
> <LM_ID>
LMFA02000227

> <COMMON_NAME>
8S-HODE

> <SYSTEMATIC_NAME>
8S-hydroxy-9Z,12Z-octadecadienoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9Z,12Z)-(8S)-Hydroxyoctadeca-9,12-dienoic acid

> <INCHI_KEY>
UKRXAPMQXXXXTD-VEPOBDBYSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h6-7,11,14,17,19H,2-5,8-10,12-13,15-16H2,1H3,(H,20,21)/b7-6-,14-11-/t17-/m1/s1

> <SMILES>
OC(=O)CCCCCC[C@H](O)/C=C\C/C=C\CCCCC

> <KEGG_ID>
C08318

> <HMDB_ID>
-

> <CHEBI_ID>
165771

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061037

> <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>
-

> <CITATION>
-

$$$$