LMFA01020463
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   16.4626   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3244   -7.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626   -5.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5944   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7259   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8573   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3833   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5147   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776   -6.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091   -7.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7259   -5.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776   -5.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  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
  5 15  1  0     0  0
 13 16  1  0     0  0
M  END
> <LM_ID>
LMFA01020463

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,11-dimethyldodecanoic 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>
RXGAWROKQTVIJW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H28O2/c1-12(2)9-7-5-4-6-8-10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 14:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9834509

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$