LMFA01020086
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.7144    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0164    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8414    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020086

> <COMMON_NAME>
beta,beta-dimethyl valeric acid

> <SYSTEMATIC_NAME>
3,3-dimethyl-pentanoic acid

> <FORMULA>
C7H14O2

> <MASS>
130.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UPURPFNAFBQPON-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H14O2/c1-4-7(2,3)5-6(8)9/h4-5H2,1-3H3,(H,8,9)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179999

> <ABBREVIATION>
FA 7:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282645

> <LIPIDBANK_ID>
DFA7054

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$