LMFA07040174
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   12.5746   -3.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0594   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3774   -4.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4711   -4.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5930   -3.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9254   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9254   -5.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7915   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6575   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5235   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3895   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2556   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1216   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9876   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8536   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5965   -4.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7197   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5857   -4.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4517   -3.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5857   -5.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6330   -3.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  0     0  0
  6  7  1  6     0  0
  6  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
  4 16  2  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  1     0  0
  2 21  1  1     0  0
M  END
> <LM_ID>
LMFA07040174

> <COMMON_NAME>
Berkeleylactone N

> <SYSTEMATIC_NAME>
5S,15R-dihydroxy-hexadeca-4R-olide

> <FORMULA>
C16H30O4

> <MASS>
286.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Berkeley-gamma-lactone N

> <INCHI_KEY>
RPNKWHNJSFMHIV-QLFBSQMISA-N

> <INCHI>
InChI=1S/C16H30O4/c1-13(17)9-7-5-3-2-4-6-8-10-14(18)15-11-12-16(19)20-15/h13-15,17-18H,2-12H2,1H3/t13-,14+,15-/m1/s1

> <SMILES>
C1CC(=O)O[C@@]1([H])[C@H](CCCCCCCCC[C@H](O)C)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164619905

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70105

> <CITATION>
34851642

$$$$