LMFA07040164
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  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
    5.6090   -5.6250    0.0000 O   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
    5.1864   -4.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599   -3.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -4.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7561   -3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3297   -3.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3259   -3.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9071   -2.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5372   -5.6250    0.0000 O   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  2  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  8 10  1  1     0  0
  9 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 19  1  0     0  0
 19  5  1  0     0  0
 19 20  1  1     0  0
 10 21  1  0     0  0
 21 22  1  0     0  0
 21 23  2  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 17 28  1  1     0  0
M  END
> <LM_ID>
LMFA07040164

> <COMMON_NAME>
Berkeleylactone D

> <SYSTEMATIC_NAME>
4-[[(3E,6S,14R,16R)-14-hydroxy-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid

> <FORMULA>
C20H30O8

> <MASS>
398.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MCGAXEIZZWCGNE-UYIHBRTKSA-N

> <INCHI>
InChI=1S/C20H30O8/c1-14-13-15(21)7-5-3-2-4-6-8-17(16(22)9-11-19(25)27-14)28-20(26)12-10-18(23)24/h9,11,14-15,17,21H,2-8,10,12-13H2,1H3,(H,23,24)/b11-9+/t14-,15-,17+/m1/s1

> <SMILES>
C1([C@@H](OC(=O)CCC(=O)O)CCCCCCC[C@@H](O)C[C@@H](C)OC(=O)C=C1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132967552

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70104

> <CITATION>
28326781

$$$$