LMST02030196
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.6643    6.8580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6597    8.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9590    8.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9661    7.2592    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3681    8.0764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3653    7.2665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7669    7.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7699    8.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0703    8.4813    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3426    8.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0617    9.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    6.8580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2694    6.0527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9661    5.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    6.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773    7.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    6.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851    6.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    7.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.6592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7590    9.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3643    9.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9661    6.4540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3653    6.4613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    7.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    8.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4564    9.2686    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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 12 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 13  1  0  0  0  0
 12 20  1  1  0  0  0
 18 21  2  0  0  0  0
 11 22  1  0  0  0  0
 11 23  2  0  0  0  0
  4 24  1  6  0  0  0
  6 25  1  6  0  0  0
  1 26  1  1  0  0  0
  3 27  2  0  0  0  0
 13 28  1  1  0  0  0
 22 29  1  0  0  0  0
M  END
> <LM_ID>
LMST02030196

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
21-Hydroxy-5b-pregnane-3,11,20-trione

> <FORMULA>
C21H30O4

> <MASS>
346.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZDUVZJUTJOBJHS-HNEBDTNWSA-N

> <INCHI>
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16?,19-,20+,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0006756

> <CHEBI_ID>
172122

> <ABBREVIATION>
ST 21:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44263345

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$