LMFA01090073
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  0  0  0  0  0  0  0  0999 V2000
    7.4677    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2037    5.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4677    6.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7262    5.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2425    5.2475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    5.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9844    6.5275    0.0000 Cl  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  6  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090073

> <COMMON_NAME>
3,3-dichloroacrylic acid

> <SYSTEMATIC_NAME>
3,3-dichloro-2-propenoic acid

> <FORMULA>
C3H2Cl2O2

> <MASS>
139.94

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HYODZVPUCNBWNY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C3H2Cl2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186566

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15272

> <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>
260499

> <CITATION>
11958814

$$$$