LMFA01170062
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0  0  0  0  0999 V2000
    9.1185    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4079    6.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8290    6.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4004    7.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5433    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8252    7.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9830    6.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2538    6.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5357    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    5.2475    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170062

> <COMMON_NAME>
2,4-dihydroxy-2-heptenedioc acid

> <SYSTEMATIC_NAME>
2,4-dihydroxy-2-heptenedioc acid

> <FORMULA>
C7H10O6

> <MASS>
190.05

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,4-Dihydroxyhept-2-enedioc acid

> <INCHI_KEY>
APNIDHDQYISZAE-HYXAFXHYSA-N

> <INCHI>
InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/b5-3-

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

> <KEGG_ID>
C06201

> <HMDB_ID>
-

> <CHEBI_ID>
165377

> <ABBREVIATION>
FA 7:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280910

> <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>
-

$$$$