LMFA01140092
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
   -0.4426   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426   -0.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4426    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
   -2.2262   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1183   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0103   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9024   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7944   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6864   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5785   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4705   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3625   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2545   -0.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5643   -1.5390    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
  6  5  1  6     0  0
  6  7  1  0     0  0
  7  8  1  1     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
  7 15  1  0     0  0
  6 15  1  0     0  0
M  END
> <LM_ID>
LMFA01140092

> <COMMON_NAME>
Lyngbyoic acid

> <SYSTEMATIC_NAME>
3-((1R,2R)-2-heptylcyclopropyl)propanoic 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>
trans-3-(2-hexylcyclopropyl)-butanoic acid;Lyngbyoate

> <INCHI_KEY>
RLZULRFRISISCU-VXGBXAGGSA-N

> <INCHI>
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-11-10-12(11)8-9-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m1/s1

> <SMILES>
C(CC[C@@H]1C[C@H]1CCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 13:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70698462

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
158786

> <CITATION>
21258753

$$$$