LMFA02000149
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   13.1225    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8546    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9885    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7208    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5867    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4528    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3190    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1850    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0511    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9171    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7832    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9171    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2566    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3905    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9885    7.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  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
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  2  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
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA02000149

> <COMMON_NAME>
Isoricinoleic Acid

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

> <FORMULA>
C18H34O3

> <MASS>
298.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-Octadecenoic acid, 9-hydroxy-, (Z)-(1)-; 9-Hydroxyoctadec-12-enoic acid, (Z)-; Strophantus acid

> <INCHI_KEY>
BNZYDQIAPCVNAT-VURMDHGXSA-N

> <INCHI>
InChI=1S/C18H34O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,17,19H,2-5,7,9-16H2,1H3,(H,20,21)/b8-6-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165774

> <ABBREVIATION>
FA 18:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282941

> <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>
52858

> <CITATION>
-

$$$$