LMFA02000116
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   20.9176    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7848    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    7.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0440    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1700    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2961    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4222    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5482    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6743    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8002    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9263    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0523    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3044    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4305    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5565    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6826    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8085    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    7.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8906    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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  1  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
 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
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000116

> <COMMON_NAME>
11-HpOME

> <SYSTEMATIC_NAME>
11-hydroperoxy-12Z-octadecenoic acid

> <FORMULA>
C18H34O4

> <MASS>
314.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WANQBDVIYMNZPQ-KAMYIIQDSA-N

> <INCHI>
InChI=1S/C18H34O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11,14,17,21H,2-10,12-13,15-16H2,1H3,(H,19,20)/b14-11-

> <SMILES>
C(CCCCCCCCCC(OO)/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165783

> <ABBREVIATION>
FA 18:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53477454

> <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>
9606

> <CITATION>
21861450

$$$$