LMFA07040210
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  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
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   -5.2896   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
    0.7790   -4.4205    0.0000 O   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  1  0     0  0
 10 11  1  0     0  0
 11 12  1  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
 10 22  1  6     0  0
 14 23  1  1     0  0
 16 24  1  6     0  0
 21 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 21  2  0     0  0
M  END
> <LM_ID>
LMFA07040210

> <COMMON_NAME>
Triplinone D

> <SYSTEMATIC_NAME>
6R-[(2S,6S,8S,11E)-2,6,8-trihydroxy-12-phenyldodec-11-enyl]-5,6-dihydro-2H-pyran-2-one

> <FORMULA>
C23H32O5

> <MASS>
388.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-phenyl,7S,11S,13S-trihydroxy-2Z,16E-heptadecadiene-4R-olide

> <INCHI_KEY>
RCNYYMDCMMZZHZ-XNVMKGFESA-N

> <INCHI>
InChI=1S/C23H32O5/c24-19(11-5-4-10-18-8-2-1-3-9-18)16-20(25)12-6-13-21(26)17-22-14-7-15-23(27)28-22/h1-4,7-10,15,19-22,24-26H,5-6,11-14,16-17H2/b10-4+/t19-,20-,21-,22+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 23:7;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136115

> <CITATION>
38964296

$$$$