LMFA07100024
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   18.6726    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5463    3.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6726    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7924    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9119    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1508    2.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3897    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5092    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6286    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7481    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8675    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1064    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3453    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    4.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1653    4.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2993    4.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1653    5.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2703    3.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4123    2.7716    0.0000 C   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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
  7 24  1  0  0  0  0
 24  8  1  0  0  0  0
 22 24  2  0     0  0
  2 25  1  0     0  0
M  END
> <LM_ID>
LMFA07100024

> <COMMON_NAME>
Peyssopyrone

> <SYSTEMATIC_NAME>
Methyl 3-[6-[(6Z,9Z)-dodeca-6,9-dienyl]-4-oxopyran-2-yl]propanoate

> <FORMULA>
C21H30O4

> <MASS>
346.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QJFPRMMSGRNYEA-UTOQUPLUSA-N

> <INCHI>
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-16-18(22)17-20(25-19)14-15-21(23)24-2/h4-5,7-8,16-17H,3,6,9-15H2,1-2H3/b5-4-,8-7-

> <SMILES>
C(CCC1=CC(=O)C=C(CCCCC/C=C\C/C=C\CC)O1)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 21:6;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328658

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
339600

> <CITATION>
15217284

$$$$