LMFA01140025
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   19.0509    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1848    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3189    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4528    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0509    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9169    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.0606    0.0000 C   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  1  0  0  0  0
  6  7  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA01140025

> <COMMON_NAME>
13-Phenyltridecanoic acid

> <SYSTEMATIC_NAME>
13-Phenyltridecanoic acid

> <FORMULA>
C19H30O2

> <MASS>
290.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVPLVXRNWLOHML-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H30O2/c20-19(21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,20,21)

> <SMILES>
C(O)(=O)CCCCCCCCCCCCC1=CC=CC=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10541544

> <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>
4458

> <CITATION>
9212473

$$$$