LMFA01140107
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0     0  0            999 V2000
   -0.4375   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    0.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2009   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9646   -0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464   -0.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7283   -0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5944    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5943   -0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0944    1.1383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  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
 10 11  1  0     0  0
  9 11  2  0     0  0
 10 12  2  0     0  0
M  END
> <LM_ID>
LMFA01140107

> <COMMON_NAME>
Alutacenoic acid A

> <SYSTEMATIC_NAME>
6-(3-oxocyclopropen-1-yl)hexanoic acid

> <FORMULA>
C9H12O3

> <MASS>
168.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PILZQFAVBOKECT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H12O3/c10-8-6-7(8)4-2-1-3-5-9(11)12/h6H,1-5H2,(H,11,12)

> <SMILES>
C(CCCCCC1=CC1=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 9:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11819412

> <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>
Oxo fatty acids [FA0106]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
70088

> <CITATION>
-

$$$$