LMFA01090152
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
    4.2690    1.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7330    0.8100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7330   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090152

> <COMMON_NAME>
2,5-Dichloro-4-oxohex-2-enedioate

> <SYSTEMATIC_NAME>
(E)-2,5-dichloro-4-oxo-hex-2-enedioic acid

> <FORMULA>
C6H4O5Cl2

> <MASS>
225.94

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
AC1NQZLN; C12835; (E)-2,5-dichloro-4-oxohex-2-enedioic acid

> <INCHI_KEY>
PLPVRWUZGSFJJB-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)/b2-1+

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

> <KEGG_ID>
C12835

> <HMDB_ID>
HMDB0060363

> <CHEBI_ID>
177587

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282172

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$