LMST02030293
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   11.9773   -9.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9716   -7.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1230   -8.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1315   -9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8297   -8.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264   -9.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5239   -9.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5276   -8.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6802   -7.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7987   -7.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6697   -6.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878   -9.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878  -10.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1315  -11.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773  -10.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495   -9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6112   -9.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6112  -10.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495  -11.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878   -8.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7728  -11.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5143   -6.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   -6.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1315  -10.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264  -10.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773   -8.6911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5249   -7.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2784   -7.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2878  -11.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  1     0  0
  4 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15  1  1  0     0  0
 12 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 13  1  0     0  0
 12 20  1  1     0  0
 18 21  2  0     0  0
 11 22  1  6     0  0
 11 23  1  0     0  0
  4 24  1  6     0  0
  6 25  1  6     0  0
  1 26  1  1     0  0
  9 27  1  6     0  0
  3 28  2  0     0  0
 13 29  1  1     0  0
M  END
> <LM_ID>
LMST02030293

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Pregnane-17alpha,20alpha-diol-3,11-dione

> <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>
17alpha,20alpha-dihydroxy-5beta-Pregnane-3,11-dione

> <INCHI_KEY>
AIQJIFRTPJXLHN-BKNCWVDASA-N

> <INCHI>
InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-13,15-16,18,22,25H,4-11H2,1-3H3/t12-,13+,15-,16-,18+,19-,20-,21-/m0/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@@](O)([C@H](C)O)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$