LMFA02000017
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   21.4925    7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3932    7.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4925    8.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5851    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6773    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7695    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9540    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0462    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1385    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2307    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3229    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4150    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5995    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7840    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8762    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9684    7.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    8.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5995    6.3607    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  1  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
 14 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000017

> <COMMON_NAME>
12-oxo-13-hydroxy-9Z-oleic acid

> <SYSTEMATIC_NAME>
12-oxo-13-hydroxy-9Z-octadecenoic acid

> <FORMULA>
C18H32O4

> <MASS>
312.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-oxo-13-HOME

> <INCHI_KEY>
FRHVCDKYCGTKJM-FLIBITNWSA-N

> <INCHI>
InChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16,19H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-

> <SMILES>
C(CCCCCCC/C=C\CC(=O)C(O)CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061052

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
3847

> <CITATION>
4303824

$$$$