LMFA02000154
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   14.8542    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9882    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7203    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5863    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4524    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3184    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1844    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0505    7.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9165    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7826    7.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9165    8.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9882    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1223    7.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2562    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3903    7.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6584    7.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9264    7.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3903    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  2  0  0  0  0
  2 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  0  0  0  0
M  END
> <LM_ID>
LMFA02000154

> <COMMON_NAME>
Coriolic acid

> <SYSTEMATIC_NAME>
13-hydroxy-9Z,11E-octadecadienoic acid

> <FORMULA>
C18H32O3

> <MASS>
296.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13-hydroxy-cis-9,trans-11-octadecadienoic acid; Artemesic acid; alpha-Artemisolic acid; a-Artemisolic acid; 13-HODE

> <INCHI_KEY>
HNICUWMFWZBIFP-BSZOFBHHSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+

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

> <KEGG_ID>
C14762

> <HMDB_ID>
HMDB0112194

> <CHEBI_ID>
72639

> <ABBREVIATION>
FA 18:2;O

> <CAYMAN_ID>
38600

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282947

> <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>
2107270

$$$$