LMFA07040171
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  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
    4.6431   -7.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843   -8.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183   -9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595  -10.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1936  -10.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666  -10.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -7.1767    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
  7 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 21 27  2  0     0  0
M  END
> <LM_ID>
LMFA07040171

> <COMMON_NAME>
Berkeleylactone K

> <SYSTEMATIC_NAME>
4R-succinyl-5S-hydroxy-15R-hexadeca-3E-enolide

> <FORMULA>
C20H32O7

> <MASS>
384.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
BIFVWXDCPBPZRB-UQEGLEONSA-N

> <INCHI>
InChI=1S/C20H32O7/c1-15-9-7-5-3-2-4-6-8-10-16(21)17(11-13-19(24)26-15)27-20(25)14-12-18(22)23/h11,13,15-17,21H,2-10,12,14H2,1H3,(H,22,23)/b13-11+/t15-,16+,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
135338044

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70105

> <CITATION>
34851642

$$$$