LMFA07040209
  LIPID_MAPS_STRUCTURE_DATABASE

 24 25  0     0  0            999 V2000
    4.2452   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -4.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769   -5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396   -5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9662   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -3.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -2.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127   -4.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9662   -4.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -6.4253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710   -4.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -5.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640   -5.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4311   -5.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2965   -5.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2965   -6.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0289   -6.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0289   -5.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1627   -5.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  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
  2  9  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
 11  4  1  0     0  0
  8 12  1  6     0  0
  4 13  1  1     0  0
  6 14  1  1     0  0
  8 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 19  2  0     0  0
M  END
> <LM_ID>
LMFA07040209

> <COMMON_NAME>
Triplinone C

> <SYSTEMATIC_NAME>
6R-[(2R,4S,7E)-2,4-Dihydroxy-8-phenyl-7-octenyl]-5,6-dihydro-2H-pyran-2-one

> <FORMULA>
C19H24O4

> <MASS>
316.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
13-phenyl,7R,9R-dihydroxy-2Z,12E-tridecadiene-4R-olide

> <INCHI_KEY>
WTQNXTLTZHFGOL-IJJSMBQGSA-N

> <INCHI>
InChI=1S/C19H24O4/c20-16(10-5-4-9-15-7-2-1-3-8-15)13-17(21)14-18-11-6-12-19(22)23-18/h1-4,6-9,12,16-18,20-21H,5,10-11,13-14H2/b9-4+/t16-,17+,18+/m0/s1

> <SMILES>
C1C[C@@]([H])(OC(=O)C=1)C[C@H](O)C[C@H](CC/C=C/C1=CC=CC=C1)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:7;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136115

> <CITATION>
-

$$$$