LMFA01040028
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
   13.7959    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6503    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5046    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3589    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2133    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0676    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7763    6.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    8.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5046    8.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3588    8.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6929    8.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7279    8.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2347    7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8948    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0405    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3319    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4776    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6234    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7692    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9149    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9794    8.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1997    9.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  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  1  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 14 24  1  0  0  0  0
 12 25  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040028

> <COMMON_NAME>
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid

> <SYSTEMATIC_NAME>
5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid

> <FORMULA>
C19H30O6

> <MASS>
354.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RMDWPORTSLRMPB-SDHWVOLWSA-N

> <INCHI>
InChI=1S/C19H30O6/c1-2-3-4-5-6-7-10-15-16(18-13-17(15)24-25-18)12-14(23-22)9-8-11-19(20)21/h6-7,12,14-15,17-18,22H,2-5,8-11,13H2,1H3,(H,20,21)/b7-6+,16-12-

> <SMILES>
C1(/C(C/C=C/CCCCC)C2OOC/1C2)=C\C(OO)CCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185277

> <ABBREVIATION>
FA 19:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282868

> <LIPIDBANK_ID>
DFA8090

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9913

> <CITATION>
-

$$$$