LMFA01020110
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.4849    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
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  2  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020110

> <COMMON_NAME>
Isopropenylacetic acid

> <SYSTEMATIC_NAME>
3-methyl-3-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>


> <INCHI_KEY>
IGRURXZWJCSNKU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0170858

> <CHEBI_ID>
178220

> <ABBREVIATION>
FA 5:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
417575

> <LIPIDBANK_ID>
DFA7078

> <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>
-

$$$$