LMFA01140110
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0     0  0            999 V2000
   -6.5096   -0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3780   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2464   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1148   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9833   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8517   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7201   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7201   -1.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5862   -2.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4523   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4523   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5861   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8541   -2.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3780    0.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12  7  2  0     0  0
  8 13  1  0     0  0
  2 14  2  0     0  0
M  END
> <LM_ID>
LMFA01140110

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-(2-Methylphenyl)-4-pentenoic acid

> <FORMULA>
C12H14O2

> <MASS>
190.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DRZNYKPVRLVHJG-XBXARRHUSA-N

> <INCHI>
InChI=1S/C12H14O2/c1-10-6-2-3-7-11(10)8-4-5-9-12(13)14/h2-4,6-8H,5,9H2,1H3,(H,13,14)/b8-4+

> <SMILES>
OC(=O)CC/C=C/C1=CC=CC=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196951

> <ABBREVIATION>
FA 12:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11229257

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1931; 2748873

> <CITATION>
21081953; 37462318

$$$$