LMFA07100017
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
   -5.6450   -3.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -3.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -3.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3770   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5110   -1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6449   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9069   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0379   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2998   -1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311   -3.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -1.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311   -2.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7790   -3.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9129   -3.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469   -3.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809   -3.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   -4.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971   -2.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0     0  0
  2  1  1  0     0  0
  3  2  2  0     0  0
  4  3  1  0     0  0
  5  4  2  0     0  0
  6  5  1  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
 14 11  1  0  0  0  0
 14 12  2  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 13 20  1  0     0  0
M  END
> <LM_ID>
LMFA07100017

> <COMMON_NAME>
Lahorenoic acid B

> <SYSTEMATIC_NAME>
Methyl 6-(2-((E)-3-oxobut-1-enyl)phenyl)hexanoate

> <FORMULA>
C17H22O3

> <MASS>
274.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BYTVKDVESHEQOK-OUKQBFOZSA-N

> <INCHI>
InChI=1S/C17H22O3/c1-14(18)12-13-16-10-7-6-9-15(16)8-4-3-5-11-17(19)20-2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3/b13-12+

> <SMILES>
C1(/C=C/C(=O)C)C=CC=CC=1CCCCCC(OC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 17:6;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71577240

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
1415170

> <CITATION>
23402329

$$$$