LMFA07040172
  LIPID_MAPS_STRUCTURE_DATABASE

 19 19  0     0  0            999 V2000
    6.4750   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3410   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2071   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0731   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391   -7.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0731   -8.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3410   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3410   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2071   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0731   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8051   -4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8051   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6712   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6712   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8051   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8051   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  4  6  2  0     0  0
  1  7  1  1     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 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  5  1  0     0  0
 18 19  1  1     0  0
M  END
> <LM_ID>
LMFA07040172

> <COMMON_NAME>
Berkeleylactone L

> <SYSTEMATIC_NAME>
4S-hydroxy-15R-hexadeca-3E-enolide

> <FORMULA>
C16H28O3

> <MASS>
268.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(3E,5S,16R)-5-hydroxy-16-methyl-1-oxacyclohexadec-3-en-2-one

> <INCHI_KEY>
JVNFUDLQCWWEEB-WCVFXIOZSA-N

> <INCHI>
InChI=1S/C16H28O3/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)12-13-16(18)19-14/h12-15,17H,2-11H2,1H3/b13-12+/t14-,15+/m1/s1

> <SMILES>
[C@@H]1(CCCCCCCCCC[C@@H](C)OC(=O)C=C1)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
135338051

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70105

> <CITATION>
34851642

$$$$