LMST02030304
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    8.4534   -6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957   -7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957   -8.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4534   -8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6112   -8.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6112   -7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1381   -6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   -7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   -8.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1380   -8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1381   -5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   -5.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8227   -5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8227   -6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651   -5.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5074   -5.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5074   -6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6651   -4.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073   -3.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8228   -3.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689   -8.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957   -6.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8227   -4.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311   -4.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0815   -7.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1381   -7.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2957   -9.1134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   -6.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
  5 21  2  0     0  0
  2 22  1  1     0  0
 13 23  1  1     0  0
 15 24  1  6     0  0
 14 25  1  6     0  0
  7 26  1  6     0  0
  3 27  1  6     0  0
  8 28  1  1     0  0
M  END
> <LM_ID>
LMST02030304

> <COMMON_NAME>
17alpha-hydroxy-5alpha-dihydroprogesterone

> <SYSTEMATIC_NAME>
5alpha-Pregnan-17alpha-ol-3,20-dione

> <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>
(5alpha)-17-Hydroxypregnane-3,20-dione

> <INCHI_KEY>
UUOHXXXJRQGPLC-JJFNZWTKSA-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/h14,16-18,24H,4-12H2,1-3H3/t14-,16+,17-,18-,19-,20-,21-/m0/s1

> <SMILES>
C1CC(=O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11889565

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
21874273

$$$$