LMFA01140063
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
    8.6892   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8232   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8232   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6892   -1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2873   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0193   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8853   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7513   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6173   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7513   -4.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  7  2  0     0  0
  7  6  1  0     0  0
  2  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
M  END
> <LM_ID>
LMFA01140063

> <COMMON_NAME>
7-phenyl heptanoic acid

> <SYSTEMATIC_NAME>
7-phenyl-heptanoic acid

> <FORMULA>
C13H18O2

> <MASS>
206.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZVSXKFNTWOIGJI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)

> <SMILES>
C1(=CC=CC=C1)CCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193307

> <ABBREVIATION>
FA 13:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
520987

> <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

$$$$