LMFA01030794
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.6057    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3214    6.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6057    7.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8849    6.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1637    6.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4425    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    6.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8030    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030794

> <COMMON_NAME>
3-Methyl-2Z-hexenoic acid

> <SYSTEMATIC_NAME>
3-Methyl-2Z-hexenoic acid

> <FORMULA>
C7H12O2

> <MASS>
128.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NTWSIWWJPQHFTO-WAYWQWQTSA-N

> <INCHI>
InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179467

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44256498

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$