LMFA07040212
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0     0  0            999 V2000
    0.7790   -4.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6207   -5.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7755   -5.4206    0.0000 C   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
    2.5132   -4.4307    0.0000 O   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
    3.3796   -3.9305    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
    2.5088   -5.4261    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
    4.2460   -4.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   -5.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20  1  1  0     0  0
  2  9  2  0     0  0
  3  2  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  9  6  1  0     0  0
 14  7  1  6     0  0
 16  8  1  1     0  0
 10  9  1  0     0  0
 11 10  2  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 15  1  0     0  0
 17 16  1  0     0  0
 18 17  1  0     0  0
 19 18  2  0     0  0
 20 19  1  0     0  0
 25 20  1  0     0  0
 26 21  1  1     0  0
 22 26  1  0     0  0
 24 22  1  0     0  0
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 28 24  1  0     0  0
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 29 27  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
> <LM_ID>
LMFA07040212

> <COMMON_NAME>
Triplinone F

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

> <FORMULA>
C23H30O5

> <MASS>
386.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-phenyl-7,11S,13S-trihydroxy-2Z,8E,16E-heptadecatriene-4R-olide

> <INCHI_KEY>
HAWZSMCQZFREJU-MIPAYREBSA-N

> <INCHI>
InChI=1S/C23H30O5/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/h1-4,6-10,13,15,19-22,24-26H,5,11-12,14,16-17H2/b10-4+,13-6+/t19-,20-,21?,22+/m0/s1

> <SMILES>
OC(C[C@]1(CC=CC(=O)O1)[H])/C=C/C[C@@H](C[C@H](CC/C=C/C1C=CC=CC=1)O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 23:8;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
177643507

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136115

> <CITATION>
38964296

$$$$