LMFA07040213
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
   -0.9960   -4.3956    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
  -10.4869   -5.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4869   -6.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6207   -7.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7545   -6.8876    0.0000 C   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
   -2.6858   -4.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7545   -5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8865   -5.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0221   -5.8936    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
   -5.2896   -5.8996    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
   -3.5572   -5.9056    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
   -1.8249   -5.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9995   -5.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -6.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7382   -4.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046   -2.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046   -3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1351   -5.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7338   -5.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -5.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -4.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -5.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  6     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
 23 18  1  0     0  0
 24 19  1  1     0  0
 20 24  1  0     0  0
 22 20  1  0     0  0
 22 21  2  0     0  0
 26 22  1  0     0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  2  0  0  0  0
 18 17  1  0     0  0
M  END
> <LM_ID>
LMFA07040213

> <COMMON_NAME>
Triplinone H

> <SYSTEMATIC_NAME>
6R-[(2S,4R,6S,9E)-2,4,6-Trihydroxy-10-phenyl-9-decenyl]-5,6-dihydro-2H-pyran-2-one

> <FORMULA>
C21H28O5

> <MASS>
360.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-phenyl-7S,9R,11S-trihydroxy-2Z,14E-pentadecadiene-4R-olide

> <INCHI_KEY>
XMEJMCWJWKJZMI-KWPRNMGYSA-N

> <INCHI>
InChI=1S/C21H28O5/c22-17(10-5-4-9-16-7-2-1-3-8-16)13-18(23)14-19(24)15-20-11-6-12-21(25)26-20/h1-4,6-9,12,17-20,22-24H,5,10-11,13-15H2/b9-4+/t17-,18+,19-,20+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:7;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
177642103

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136115

> <CITATION>
38964296

$$$$