LMFA01020071
  LIPID_MAPS_STRUCTURE_DATABASE

  6  5  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    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
  3  5  2  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020071

> <COMMON_NAME>
Isobutyric acid

> <SYSTEMATIC_NAME>
2-methyl-propanoic acid

> <FORMULA>
C4H8O2

> <MASS>
88.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KQNPFQTWMSNSAP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

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

> <KEGG_ID>
C02632

> <HMDB_ID>
HMDB0001873

> <CHEBI_ID>
16135

> <ABBREVIATION>
FA 4:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6590

> <LIPIDBANK_ID>
DFA7039

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$