LMFA01020119
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.1994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    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
  5  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020119

> <COMMON_NAME>
4,4-dimethyl-2E-pentenoic acid

> <SYSTEMATIC_NAME>
4,4-dimethyl-2E-pentenoic 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>
RPVPMVHPERYZNF-SNAWJCMRSA-N

> <INCHI>
InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)/b5-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179474

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282660

> <LIPIDBANK_ID>
DFA7087

> <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>
-

$$$$