LMFA01140102
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0     0  0            999 V2000
   11.1493    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8814    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0155    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7475    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6138    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4797    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3458    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2120    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0778    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9440    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8101    4.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9440    6.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2833    5.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4173    4.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3127    3.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3346    3.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8346    4.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8400    4.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 14  2  0     0  0
 17 19  2  0     0  0
M  END
> <LM_ID>
LMFA01140102

> <COMMON_NAME>
Cyclopentenone acid A

> <SYSTEMATIC_NAME>
11-(3-oxo-1-cyclopentenyl)-undecanoic acid

> <FORMULA>
C16H26O3

> <MASS>
266.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RBOLVCWMVYGKDY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H26O3/c17-15-12-11-14(13-15)9-7-5-3-1-2-4-6-8-10-16(18)19/h13H,1-12H2,(H,18,19)

> <SMILES>
C(CC1=CC(=O)CC1)CCCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119990

> <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>
467743

> <CITATION>
35142236

$$$$