LMST01160005
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.8294    6.2619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8248    7.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0916    7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992    6.6815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5657    7.5363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5627    6.6893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0289    6.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0319    7.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3002    7.9597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8294    6.9665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5657    8.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2911    8.7834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0207    9.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2911    9.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5627    6.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3706    6.2619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3706    5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8294    5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466    6.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9225    6.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6466    5.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3706    6.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8208    8.2603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6457    9.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0992    6.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7870    8.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5641    9.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5641   10.0885    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7870   10.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0207   10.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    8.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2083   10.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9225    5.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
  6 15  1  6  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 34  1  0  0  0  0
 34 22  1  0  0  0  0
 22 17  2  0  0  0  0
 16 23  1  1  0  0  0
  9 24  1  6  0  0  0
 12 25  1  6  0  0  0
  4 26  1  6  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 13  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
> <LM_ID>
LMST01160005

> <COMMON_NAME>
Minabeolide-4

> <SYSTEMATIC_NAME>
28-nor-3-oxo-witha-1,4-dienolide

> <FORMULA>
C27H38O3

> <MASS>
410.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OIROZVSBVQAEPT-NQWODNNOSA-N

> <INCHI>
InChI=1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16?,17-,20-,21+,22-,23-,24?,26-,27+/m0/s1

> <SMILES>
[C@]12(CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C3CCC(C)C(=O)O3)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931501

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
361171

> <CITATION>
-

$$$$