LMFA01020053
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.9265    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9890    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870    7.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    8.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    6.0606    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
  9 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020053

> <COMMON_NAME>
2-methyl-undecanoic acid

> <SYSTEMATIC_NAME>
2-methyl-undecanoic acid

> <FORMULA>
C12H24O2

> <MASS>
200.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PFFITEZSYJIHHR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11(2)12(13)14/h11H,3-10H2,1-2H3,(H,13,14)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179754

> <ABBREVIATION>
FA 12:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
91168

> <LIPIDBANK_ID>
DFA7021

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9685

> <CITATION>
42617604

$$$$