LMFA02000173
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   16.7207    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5868    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4529    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3189    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1851    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0511    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9171    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0511    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7207    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8548    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9887    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  8  2  0  0  0  0
  1  9  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 15 21  1  6  0  0  0
M  END
> <LM_ID>
LMFA02000173

> <COMMON_NAME>
13S-HOTrE(gamma)

> <SYSTEMATIC_NAME>
13S-hydroxy-6Z,9Z,11E-octadecatrienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6(Z),9(Z),11(E)-13S-HOTrE

> <INCHI_KEY>
HNBLUNXZQNJFRB-KYLWABQHSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+/t17-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165777

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
39610

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282971

> <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>
9606

> <CITATION>
30056696

$$$$