LMFA01090148
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0            999 V2000
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  8  1  0  0  0  0
  5  2  2  0  0  0  0
  4  5  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090148

> <COMMON_NAME>
(E,E)-3-chloromuconic acid

> <SYSTEMATIC_NAME>
(2E,4E)-3-chlorohexa-2,4-dienedioic acid

> <FORMULA>
C6H5O4Cl

> <MASS>
175.99

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ICMVYBXQDUXEEE-MVJNYCIBSA-N

> <INCHI>
InChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1+,4-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38432

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6326756

> <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>
-

> <CITATION>
-

$$$$