LMFA01140093
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.4536    8.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2464    7.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690    6.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4779    8.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5020    6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    7.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208    6.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9270    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5305    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3984    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2662    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1341    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0019    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8697    7.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7376    8.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6061    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4723    8.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3385    7.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4722    9.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
 10 11  1  0     0  0
  4  6  1  0     0  0
 11 12  1  0     0  0
  1  2  1  0     0  0
 12 13  1  0     0  0
  5  7  1  0     0  0
 13 14  1  0     0  0
  6  7  1  0     0  0
 14 15  1  0     0  0
  1  4  1  0     0  0
 15 16  1  0     0  0
  2  8  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  8  9  1  0     0  0
 18 19  1  0     0  0
  3  5  1  0     0  0
  9 10  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  2  0     0  0
M  END
> <LM_ID>
LMFA01140093

> <COMMON_NAME>
13-Cycloheptyltridecanoic acid

> <SYSTEMATIC_NAME>
13-Cycloheptyltridecanoic acid

> <FORMULA>
C20H38O2

> <MASS>
310.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
omega-cycloheptyltridecanoic acid

> <INCHI_KEY>
AROTXGMGHUCMKW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H38O2/c21-20(22)18-14-8-6-4-2-1-3-5-7-11-15-19-16-12-9-10-13-17-19/h19H,1-18H2,(H,21,22)

> <SMILES>
C1CCCCCC1CCCCCCCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23498410

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1457

> <CITATION>
7623036

$$$$