LMFA01170148
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0     0  0            999 V2000
   -1.2988   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9037   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6404   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5085   -1.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974   -2.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4343   -0.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -0.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -0.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6404   -3.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  1  8  1  6     0  0
  1  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
  9 12  2  0     0  0
 10 13  1  0     0  0
  8 14  1  0     0  0
  8 15  2  0     0  0
  6 16  2  0     0  0
M  END
> <LM_ID>
LMFA01170148

> <COMMON_NAME>
Asperitaconic acid C

> <SYSTEMATIC_NAME>
8-oxo-3S-carboxy-2-methylidenenonanoic acid

> <FORMULA>
C11H16O5

> <MASS>
228.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3S-(5-oxohexyl)itaconic acid

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139589571

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01170148

$$$$