LMST02030140
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.2689    5.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2689    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8413    6.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6259    6.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1108    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    7.7300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0197    9.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8413    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3736    8.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8808    5.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    5.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4263    8.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6294    8.7440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  1  0  0  0
  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  6  0  0  0
 10 11  1  0  0  0  0
 10 22  1  1  0  0  0
 11 12  1  0  0  0  0
 12 27  1  1  0  0  0
 12 14  1  0  0  0  0
 12 21  1  6  0  0  0
 27 13  1  0  0  0  0
 14 15  1  1  0  0  0
 14 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
 18 24  1  6  0  0  0
 19 20  1  1  0  0  0
 27 28  2  0  0  0  0
M  END
> <LM_ID>
LMST02030140

> <COMMON_NAME>
3beta,15beta,17alpha-Trihydroxy-pregnenone

> <SYSTEMATIC_NAME>
3beta,15beta,17alpha-Trihydroxy-pregn-5-en-20-one

> <FORMULA>
C21H32O4

> <MASS>
348.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3b,15b,17a-Trihydroxy-Pregnenone

> <INCHI_KEY>
VWUZUCWRCBMJNW-YZUCACDQSA-N

> <INCHI>
InChI=1S/C21H32O4/c1-12(22)21(25)11-17(24)18-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(18,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m0/s1

> <SMILES>
[C@@H]1(O)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)C)C[C@@H](O)[C@@]4([H])[C@]3([H])CC=2)CC1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00353

> <CHEBI_ID>
173219

> <ABBREVIATION>
ST 21:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
133455

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$