LMFA01020191
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.8871    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6219    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8871    6.1039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1468    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4062    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6655    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9249    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1843    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4437    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9625    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7406    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4062    6.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020191

> <COMMON_NAME>
3-methyl-tridecanoic acid

> <SYSTEMATIC_NAME>
3-methyl-tridecanoic acid

> <FORMULA>
C14H28O2

> <MASS>
228.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JQEQRSJZNQFUBC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13(2)12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)

> <SMILES>
C(CC(C)CCCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179793

> <ABBREVIATION>
FA 14:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312291

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$