LMFA01020101
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.0724    0.0000 C   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
    6.4290    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.2475    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
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020101

> <COMMON_NAME>
2-methyl-2E-hexenoic acid

> <SYSTEMATIC_NAME>
2-methyl-2E-hexenoic 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>
AKOVMBAFZSPEQU-AATRIKPKSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179470

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282650

> <LIPIDBANK_ID>
DFA7069

> <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>
-

$$$$