LMFA01140074
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
    0.2759   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759   -2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135   -2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446   -3.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7511   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4887   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3575   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2262   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0950   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6191   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4879   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2254   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2254   -0.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0943   -1.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9639   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8326   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  2  6  1  0     0  0
  6  5  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 17 19  1  0     0  0
 13 20  1  0     0  0
 20 21  1  0     0  0
 21 14  1  0     0  0
M  END
> <LM_ID>
LMFA01140074

> <COMMON_NAME>
13-phenyl-9E-tridecenoic acid

> <SYSTEMATIC_NAME>
13-phenyl-9E-tridecenoic acid

> <FORMULA>
C19H28O2

> <MASS>
288.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTHXJDIHJNGHDK-HWKANZROSA-N

> <INCHI>
InChI=1S/C19H28O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h3,5,9,11-12,15-16H,1-2,4,6-8,10,13-14,17H2,(H,20,21)/b5-3+

> <SMILES>
C1C=C(CCC/C=C/CCCCCCCC(O)=O)C=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186915

> <ABBREVIATION>
FA 19:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102355720

> <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>
491971

> <CITATION>
15587707

$$$$