LMFA02000034
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   17.7201    6.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4625    6.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7201    7.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9722    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2240    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7275    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9790    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2308    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7343    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9862    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2378    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4895    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7412    6.1155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9929    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2448    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483    6.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7412    5.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3108    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  1  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000034

> <COMMON_NAME>
13S-HpODE

> <SYSTEMATIC_NAME>
13S-hydroperoxy-9Z,11E-octadecadienoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13-HpODE

> <INCHI_KEY>
JDSRHVWSAMTSSN-IRQZEAMPSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1

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

> <KEGG_ID>
C04717

> <HMDB_ID>
HMDB0003871

> <CHEBI_ID>
15655

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000936

> <PUBCHEM_COMPOUND_ID>
5280720

> <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>
-

$$$$