LMFA01030964
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0            999 V2000
   -1.0309   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -0.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1133    1.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030964

> <COMMON_NAME>
2,4-Dimethyl-2-pentenoic acid

> <SYSTEMATIC_NAME>
(2E)-2,4-dimethylpent-2-enoic 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>
DMHLGGQHOSTMJG-GQCTYLIASA-N

> <INCHI>
InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)/b6-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0039819

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5362565

> <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>
-

$$$$