LMFA02000115
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.0816    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3671    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6526    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9382    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2237    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5092    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3671    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7947    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0803    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3658    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6513    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3974    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1119    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    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
 13 21  1  1  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000115

> <COMMON_NAME>
11S-HpODE

> <SYSTEMATIC_NAME>
11S-hydroperoxy-9Z,12Z-octadecadienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid; 11-HpODE

> <INCHI_KEY>
PLWDMWAXENHPLY-PDBSFCERSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1

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

> <KEGG_ID>
C07338

> <HMDB_ID>
HMDB0062281

> <CHEBI_ID>
15657

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281026

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$