LMFA07040211
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0     0  0            999 V2000
    4.2460   -5.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   -4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3776   -5.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -5.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -5.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3796   -3.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3796   -2.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132   -4.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -6.4266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -5.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925   -5.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -5.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8249   -5.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -5.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5572   -5.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217   -5.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2896   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1541   -5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0220   -5.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8864   -5.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7544   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6858   -4.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4182   -4.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7544   -6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6206   -7.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4868   -6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4868   -5.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6206   -5.3874    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
  2  6  1  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
  8  4  1  0     0  0
  4  9  1  1     0  0
  5 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  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 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 14 22  1  1     0  0
 16 23  1  6     0  0
 21 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 21  2  0     0  0
M  END
> <LM_ID>
LMFA07040211

> <COMMON_NAME>
Triplinone E

> <SYSTEMATIC_NAME>
6R-[(1E,3E,6S,8S,11E)-6,8-Dihydroxy-12-phenyl-1,3,11-dodecatrienyl]-5,6-dihydro-2H-pyran-2-one

> <FORMULA>
C23H28O4

> <MASS>
368.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-phenyl-11S,13S-dihydroxy-2Z,6E,8E,16E-heptadecatetraene-4R-olide

> <INCHI_KEY>
KRBARPNASAVMNP-UBKKNSJISA-N

> <INCHI>
InChI=1S/C23H28O4/c24-20(13-5-2-6-15-22-16-9-17-23(26)27-22)18-21(25)14-8-7-12-19-10-3-1-4-11-19/h1-7,9-12,15,17,20-22,24-25H,8,13-14,16,18H2/b5-2+,12-7+,15-6+/t20-,21-,22-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 23:9;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
177642408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136115

> <CITATION>
38964296

$$$$