LMFA02000054
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   21.0222    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8956    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0222    7.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1425    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2624    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3823    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5021    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6220    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7419    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8618    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9817    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1016    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2213    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3412    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4611    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5810    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8208    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    6.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    7.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 17 21  1  1     0  0
M  END
> <LM_ID>
LMFA02000054

> <COMMON_NAME>
Avenoleic acid

> <SYSTEMATIC_NAME>
15R-hydroxy-9Z,12Z-octadecadienoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
15-hydroxylinoleic acid

> <INCHI_KEY>
MZQXAWAWDWCIKG-SPSBLGDNSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165773

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
38710

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45934094

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
4498

> <CITATION>
9561106

$$$$