LMFA01031268
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   -0.4311   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2996   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7752   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6441   -0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5132   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6441    0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5102    0.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  4 11  1  0     0  0
  6 12  1  0     0  0
  9 13  1  0     0  0
  9 14  1  0     0  0
M  END
> <LM_ID>
LMFA01031268

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-hydroxy-2,4,7-trimethyl-2E,4E-octadienoic acid

> <FORMULA>
C11H18O3

> <MASS>
198.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AHNOKIIXVYRKGQ-OCIXRKKMSA-N

> <INCHI>
InChI=1S/C11H18O3/c1-8(5-6-11(3,4)14)7-9(2)10(12)13/h5,7,14H,6H2,1-4H3,(H,12,13)/b8-5+,9-7+

> <SMILES>
C(/C(/C)=C/C(/C)=C/CC(O)(C)C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 11:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118567

> <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>
Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
2682939

> <CITATION>
34956414

$$$$