LMST02030230
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   19.7991    4.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6172    3.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0615    3.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7814   -0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5650    3.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9015    3.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8106    3.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5290    2.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1652    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0947    3.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5212    1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1524    2.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6459    0.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1524    1.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2899    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5132    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4276    1.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5816   -0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6759    2.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5982    1.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542    1.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0947    1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3060    0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4116   -0.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2899    3.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4276    2.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2240    0.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2765    2.2398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5164   -0.6025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4477    0.7457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  6     0  0
  2  7  1  0     0  0
 10  3  1  6     0  0
 13  4  1  6     0  0
  5 26  2  0     0  0
  6  7  1  0     0  0
  6 10  1  0     0  0
 11  8  1  1     0  0
 12  9  1  1     0  0
 10 12  1  0     0  0
 10 19  1  0     0  0
 11 16  1  0     0  0
 11 17  1  0     0  0
 11 20  1  0     0  0
 12 14  1  0     0  0
 12 25  1  0     0  0
 13 18  1  0     0  0
 13 21  1  0     0  0
 14 15  1  0     0  0
 14 22  1  0     0  0
 14 27  1  6     0  0
 15 17  1  0     0  0
 15 23  1  0     0  0
 15 28  1  1     0  0
 16 18  1  0     0  0
 16 24  1  0     0  0
 16 29  1  1     0  0
 17 26  1  0     0  0
 17 30  1  6     0  0
 19 22  1  0     0  0
 20 21  1  0     0  0
 23 24  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMST02030230

> <COMMON_NAME>
beta-Cortolone

> <SYSTEMATIC_NAME>
5beta-11-oxo-pregnane-3alpha,11beta,17,20R,21-tetrol

> <FORMULA>
C21H34O5

> <MASS>
366.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JXCOSKURGJMQSG-AIEJOZITSA-N

> <INCHI>
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17-,18-,19+,20+,21+/m1/s1

> <SMILES>
O[C@@H]([C@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@@]4([C@@]3([H])C(C[C@]12C)=O)C)O)O)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
175712

> <ABBREVIATION>
ST 21:1;O5

> <CAYMAN_ID>
36224

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
245259

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 9606

> <CITATION>
13825604; 13233247

$$$$