LMFA01170072
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.3556    6.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3556    7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6246    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7896    5.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0752    7.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    6.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3899    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6158    6.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7909    7.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0752    8.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9126    7.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7871    6.6220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    7.8670    0.0000 O   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
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170072

> <COMMON_NAME>
4-carboxy-2-hydroxy-cis,cis-muconic acid

> <SYSTEMATIC_NAME>
4-hydroxy-1E,3E-butadiene-1,2,4-tricarboxylic acid

> <FORMULA>
C7H6O7

> <MASS>
202.01

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Carboxy-2-hydroxy-cis,cis-muconate; 4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate; 4-carboxy-2-hydroxy-cis,cis-muconate; 4-carboxy-2-hydroxy-cis,cis-muconic acid

> <INCHI_KEY>
QWLUKZXOQAQUFQ-DXLKSGPOSA-N

> <INCHI>
InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/b3-2+,4-1+

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

> <KEGG_ID>
C04324

> <HMDB_ID>
-

> <CHEBI_ID>
17424

> <ABBREVIATION>
FA 7:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54675766

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$