LMFA01140057
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   -0.4399   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399   -0.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    0.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3262   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2128   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0996   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9863   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8730   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7596   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6463   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5330   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4197   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3064   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1931   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0797   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9664   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8531   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7398   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9764    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6058   -0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4719   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  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  1  0     0  0
 11 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  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 11 19  1  0     0  0
 12 19  1  0     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
M  END
> <LM_ID>
LMFA01140057

> <COMMON_NAME>
2-octyl-cyclopropaneoctanoic acid

> <SYSTEMATIC_NAME>
8-(2-octylcyclopropyl)octanoic acid

> <FORMULA>
C19H36O2

> <MASS>
296.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDXZQLDUVAKMBQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)

> <SMILES>
C(CCCCCCCC1CC1CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160788

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
23754307

$$$$