LMFA01020125
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    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  2  0  0  0  0
  5  4  1  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
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020125

> <COMMON_NAME>
2-ethyl-3E-hexenoic acid

> <SYSTEMATIC_NAME>
2-ethyl-3E-hexenoic acid

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Branched fatty acids [FA0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VWZXHJHVCHFVNZ-AATRIKPKSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/b6-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180319

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282664

> <LIPIDBANK_ID>
DFA7093

> <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>
-

$$$$