LMFA02000200
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   21.1910    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0742    6.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910    8.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3013    6.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4113    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5213    6.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6312    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7411    6.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8512    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9611    6.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0710    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1810    7.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2909    8.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4010    8.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    9.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6208    8.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7308    9.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8408    8.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9507    9.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9611    6.0607    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  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  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  2  0  0  0  0
 10 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000200

> <COMMON_NAME>
Isanolic acid

> <SYSTEMATIC_NAME>
8-hydroxy-17-octadecene-9,11-diynoic acid

> <FORMULA>
C18H26O3

> <MASS>
290.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-Octadecene-9,11-diynoic acid, 8-hydroxy-

> <INCHI_KEY>
KWLVIGJGNBJKPA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)

> <SMILES>
C(CCCCCCC(O)C#CC#CCCCCC=C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173157

> <ABBREVIATION>
FA 18:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312840

> <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>
350425

> <CITATION>
350425

$$$$