LMFA01170085
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0  0  0  0  0  0  0  0999 V2000
   11.3806    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3806    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6977    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <LM_ID>
LMFA01170085

> <COMMON_NAME>
2-octenedioic acid

> <SYSTEMATIC_NAME>
2E-octenedioic acid

> <FORMULA>
C8H12O4

> <MASS>
172.07

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNTPVRGYUHJFHN-HYXAFXHYSA-N

> <INCHI>
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h3,5H,1-2,4,6H2,(H,9,10)(H,11,12)/b5-3-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00341

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 8:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5354607

> <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>
-

$$$$