LMFA07040175
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  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
   14.6325   -6.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3737   -7.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5985   -5.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3056   -6.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2715   -6.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9786   -7.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5303   -5.3452    0.0000 O   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
  7 22  1  0     0  0
 22 23  2  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 26 28  2  0     0  0
M  END
> <LM_ID>
LMFA07040175

> <COMMON_NAME>
Berkeleylactone O

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

> <FORMULA>
C20H34O7

> <MASS>
386.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Berkeley-gamma-lactone O

> <INCHI_KEY>
HIXALGDEGOEFOJ-IXDOHACOSA-N

> <INCHI>
InChI=1S/C20H34O7/c1-15(21)9-7-5-3-2-4-6-8-10-16(17-11-13-19(24)27-17)26-20(25)14-12-18(22)23/h15-17,21H,2-14H2,1H3,(H,22,23)/t15-,16+,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164629066

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
70105

> <CITATION>
34851642

$$$$