LMFA01020029
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0     0  0            999 V2000
    7.9266    7.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7927    7.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587    7.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7927    8.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337    6.3606    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
  2  4  2  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020029

> <COMMON_NAME>
Angelic acid

> <SYSTEMATIC_NAME>
2-methyl-2Z-butenoic acid

> <FORMULA>
C5H8O2

> <MASS>
100.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
alpha-methyl isocrotonic acid

> <INCHI_KEY>
UIERETOOQGIECD-ARJAWSKDSA-N

> <INCHI>
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-

> <SMILES>
C(/C)(=C\C)\C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029608

> <CHEBI_ID>
36431

> <ABBREVIATION>
FA 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
643915

> <LIPIDBANK_ID>
DFA0254

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40949

> <CITATION>
-

$$$$