LMFA01020118
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    8.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    8.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    8.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    8.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    9.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    6.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020118

> <COMMON_NAME>
2-butyl acrylic acid

> <SYSTEMATIC_NAME>
2-butyl-2-propenoic acid

> <FORMULA>
C7H12O2

> <MASS>
128.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FEUFEGJTJIHPOF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H12O2/c1-3-4-5-6(2)7(8)9/h2-5H2,1H3,(H,8,9)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179472

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168447

> <LIPIDBANK_ID>
DFA7086

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$