LMFA01170066
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   11.2602    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5336    6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8284    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1232    6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3966    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914    6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    6.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2602    7.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9654    6.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1232    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
  9  1  2  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
 13  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
 14  6  2  0  0  0  0
  8  7  1  0  0  0  0
 12  8  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170066

> <COMMON_NAME>
4-fumarylacetoacetic acid

> <SYSTEMATIC_NAME>
4,6-dioxo-2E-octenedioic acid

> <FORMULA>
C8H8O6

> <MASS>
200.03

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Fumarylacetoacetic acid; Fumarylacetoacetone

> <INCHI_KEY>
GACSIVHAIFQKTC-OWOJBTEDSA-N

> <INCHI>
InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+

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

> <KEGG_ID>
C01061

> <HMDB_ID>
HMDB0001268

> <CHEBI_ID>
30907

> <ABBREVIATION>
FA 8:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280398

> <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>
-

$$$$