LMFA07040167
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
    6.4688   -7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -7.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993   -7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644   -7.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9296   -7.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644   -8.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6036   -7.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4688   -6.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -5.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6036   -5.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -4.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1993   -4.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644   -4.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9296   -4.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948   -4.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948   -5.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6601   -6.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6601   -7.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948   -7.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7948   -8.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5252   -7.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830   -4.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -4.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786   -4.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5438   -4.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090   -4.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -3.0970    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  1  1     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
 18 21  1  6     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 23 28  2  0     0  0
 26 10  1  0     0  0
M  END
> <LM_ID>
LMFA07040167

> <COMMON_NAME>
Berkeleylactone G

> <SYSTEMATIC_NAME>
5S-succinyl-4R,14S-dihydroxy-15R-hexadeca-3E-enolide

> <FORMULA>
C20H32O8

> <MASS>
400.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-[[(3E,5R,6S,15S,16R)-5,15-dihydroxy-16-methyl-2-oxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxobutanoic acid

> <INCHI_KEY>
LHCHMGFKQQZRRH-JUDWWFKISA-N

> <INCHI>
InChI=1S/C20H32O8/c1-14-15(21)8-6-4-2-3-5-7-9-17(16(22)10-12-19(25)27-14)28-20(26)13-11-18(23)24/h10,12,14-17,21-22H,2-9,11,13H2,1H3,(H,23,24)/b12-10+/t14-,15+,16-,17+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132967555

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70104

> <CITATION>
28326781

$$$$