LMST02030149
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
   10.6247    6.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    6.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1605    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0296    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4418    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    7.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    7.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    8.8605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4418    9.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1605    6.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4418   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5758   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3079   11.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3079   10.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 21  1  0  0  0  0
 21  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 27  1  6  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 22 25  1  6  0  0  0
  7 23  1  1  0  0  0
 17 24  1  1  0  0  0
 22 26  1  0  0  0  0
M  END
> <LM_ID>
LMST02030149

> <COMMON_NAME>
(20R)-17,20-dihydroxypregn-4-en-3-one

> <SYSTEMATIC_NAME>
17alpha,20R-dihydroxypregn-4-en-3-one

> <FORMULA>
C21H32O3

> <MASS>
332.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-DHP; 17alpha,20beta-dihydroxypregn-4-en-3-one; 17alpha-hydroxy-20beta-dihydroprogesterone

> <INCHI_KEY>
MASCESDECGBIBB-FSHQYNQFSA-N

> <INCHI>
InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16-,17+,18+,19+,20+,21+/m1/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4([C@@H](C)O)O)[C@]13[H])CCC(=O)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
36723

> <ABBREVIATION>
ST 21:2;O3

> <CAYMAN_ID>
16146

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
107701

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7957

> <CITATION>
-

$$$$