LMFA01020062
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.7925    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9889    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5871    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4531    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5871    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020062

> <COMMON_NAME>
3-methyl lauric acid

> <SYSTEMATIC_NAME>
3-methyl-dodecanoic acid

> <FORMULA>
C13H26O2

> <MASS>
214.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KZNOWILOENIYSH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180110

> <ABBREVIATION>
FA 13:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
114534

> <LIPIDBANK_ID>
DFA7030

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$