LMFA07040214
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
   -0.9976   -4.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8846   -5.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7521   -5.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7521   -6.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8846   -7.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0170   -6.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899   -4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0170   -5.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1477   -5.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2819   -5.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4126   -5.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5627   -5.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934   -5.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -5.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -6.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7393   -4.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -2.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -3.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -5.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7349   -5.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051   -5.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748   -5.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -3.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241   -2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008   -2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1     0  0
  2  8  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
  8  6  1  0     0  0
 13  7  1  6     0  0
  9  8  1  0     0  0
 10  9  2  0     0  0
 11 10  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 20 15  1  0     0  0
 21 16  1  1     0  0
 17 21  1  0     0  0
 19 17  1  0     0  0
 19 18  2  0     0  0
 23 19  1  0     0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 24 22  1  0  0  0  0
 24 23  2  0  0  0  0
 15 14  1  0     0  0
 12 11  1  0     0  0
  1 25  1  0     0  0
 25 26  2  0     0  0
 25 27  1  0     0  0
M  END
> <LM_ID>
LMFA07040214

> <COMMON_NAME>
Triplinone G

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

> <FORMULA>
C21H26O5

> <MASS>
358.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-phenyl-7S,9R-trihydroxy-2Z,12E-tridecadiene-4R-olide

> <INCHI_KEY>
OSUMOBKNYMFBBS-JWYHSKDHSA-N

> <INCHI>
InChI=1S/C21H26O5/c1-16(22)25-20(15-19-12-7-13-21(24)26-19)14-18(23)11-6-5-10-17-8-3-2-4-9-17/h2-5,7-10,13,18-20,23H,6,11-12,14-15H2,1H3/b10-5+/t18-,19+,20+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 21:8;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

$$$$