LMFA01020031
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    6.5394    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9684    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6829    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9684    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0725    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
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020031

> <COMMON_NAME>
Pyroterebic acid

> <SYSTEMATIC_NAME>
4-methyl-3-pentenoic acid

> <FORMULA>
C6H10O2

> <MASS>
114.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CQJHAULYLJXJNL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3H,4H2,1-2H3,(H,7,8)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
143856

> <ABBREVIATION>
FA 6:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
68158

> <LIPIDBANK_ID>
DFA0256

> <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>
-

$$$$