LMFA01140066
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
   19.7779   -3.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9608   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0935   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2261   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3589   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6244   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6451   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5125   -3.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3797   -3.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5125   -2.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7571   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8899   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0227   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1554   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1554   -2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2881   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209   -2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4209   -3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2881   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
  7 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
M  END
> <LM_ID>
LMFA01140066

> <COMMON_NAME>
12-phenyl dodecanoic acid

> <SYSTEMATIC_NAME>
12-phenyl-dodecanoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IXEHFJJSVBVZHI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)

> <SMILES>
C(CC(=O)O)CCCCCCCCCC1C=CC=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
151922

> <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>
228852

> <CITATION>
15587707

$$$$