LMFA01020392
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    9.5487    5.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487    6.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0327    5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163    5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7582    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0327    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020392

> <COMMON_NAME>
3-Methyl-2E-heptenoic acid

> <SYSTEMATIC_NAME>
3-Methyl-2E-heptenoic 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>
BBLRVFUTKVICCR-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-3-4-5-7(2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180321

> <ABBREVIATION>
FA 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15725756

> <LIPIDBANK_ID>
-

> <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>
-

$$$$