LMFA01170146
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0     0  0            999 V2000
   -1.2987   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669   -2.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0351   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9034   -2.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6400   -2.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5081   -1.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3764   -2.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2986   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -2.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973   -2.2486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -3.2450    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
   -2.1641   -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
   -2.1640    0.7546    0.0000 C   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
  7  8  1  0     0  0
  1  9  1  6     0  0
  1 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 10 13  2  0     0  0
 11 14  1  0     0  0
  9 15  1  0     0  0
  9 16  2  0     0  0
 15 17  1  0     0  0
M  END
> <LM_ID>
LMFA01170146

> <COMMON_NAME>
Asperitaconic acid A

> <SYSTEMATIC_NAME>
9-hydroxy-3S-methoxycarbonyl-2-methylidenenonanoic acid

> <FORMULA>
C12H20O5

> <MASS>
244.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Dicarboxylic acids [FA0117]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
38357880

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA01170146

$$$$