LMFA02000108
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   10.8261    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2551    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5406    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3986    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1131    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8276    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5421    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2566    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9711    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2566    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1116    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3972    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9683    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5406    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2550    6.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000108

> <COMMON_NAME>
9-HpOTrE

> <SYSTEMATIC_NAME>
9-hydroperoxy-10E,12,15Z-octadecatrienoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RWKJTIHNYSIIHW-UNAQAUQESA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6+,14-11+

> <SMILES>
C(=C/C=C/C/C=C\CC)\C(OO)CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165791

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282864

> <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>
-

$$$$