LMFA01031265
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  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
   -6.5131   -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
  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
M  END
> <LM_ID>
LMFA01031265

> <COMMON_NAME>


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

> <FORMULA>
C11H18O2

> <MASS>
182.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GSYOKFCMOWJNFT-KZZDLZNXSA-N

> <INCHI>
InChI=1S/C11H18O2/c1-8(2)5-6-9(3)7-10(4)11(12)13/h6-8H,5H2,1-4H3,(H,12,13)/b9-6+,10-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 11:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118564

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2682939

> <CITATION>
34956414

$$$$