LMFA01140089
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
   -0.4425   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4425   -0.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    0.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0104   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9026   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7947   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6867   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5788   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4709   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3629   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2549   -0.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4566    0.5169    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
  7  6  1  1     0  0
  7  8  1  0     0  0
  8  9  1  1     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
  7 15  1  0     0  0
  8 15  1  0     0  0
M  END
> <LM_ID>
LMFA01140089

> <COMMON_NAME>
cis-4-(2-hexylcyclopropyl)-butanoic acid

> <SYSTEMATIC_NAME>
4-((1R,2S)-2-hexylcyclopropyl)butanoic acid

> <FORMULA>
C13H24O2

> <MASS>
212.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2-hexylcyclopropyl)butanoic acid

> <INCHI_KEY>
MQWFOICQHNOBOJ-NWDGAFQWSA-N

> <INCHI>
InChI=1S/C13H24O2/c1-2-3-4-5-7-11-10-12(11)8-6-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12+/m0/s1

> <SMILES>
C(CCC[C@@H]1C[C@@H]1CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156581807

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2171494

> <CITATION>
30297608

$$$$