LMFA01020122
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  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
    6.4291    6.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8581    6.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    7.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4291    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA01020122

> <COMMON_NAME>
2-isopropyl trans-crotonic acid

> <SYSTEMATIC_NAME>
2-isopropyl-2E-butenoic 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>
KPEWEFZCRAOPHV-GQCTYLIASA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179477

> <ABBREVIATION>
FA 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282662

> <LIPIDBANK_ID>
DFA7090

> <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>
-

$$$$