LMST02030280
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   13.4498   -7.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4444   -5.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5917   -5.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   -6.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3276   -5.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3238   -6.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0718   -6.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0752   -5.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2032   -5.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470   -6.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2956   -4.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2065   -4.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0620   -3.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9137   -4.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3230   -7.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7108   -7.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7108   -8.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   -8.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4498   -8.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8476   -6.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9847   -7.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9847   -8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8476   -8.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7108   -6.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5451   -3.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1892   -8.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   -7.5528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7074   -8.8468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7296   -5.0648    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
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  6  0  0  0
  4 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  1  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 16 24  1  1  0  0  0
 12 25  2  0  0  0  0
 22 26  2  0  0  0  0
  4 27  1  6  0  0  0
  9 12  1  1  0  0  0
 17 28  1  1     0  0
  3 29  1  1     0  0
M  END
> <LM_ID>
LMST02030280

> <COMMON_NAME>
5beta-Dihydrocorticosterone

> <SYSTEMATIC_NAME>
11beta,21-Dihydroxy-5beta-pregnane-3,20-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>
5beta-Pregnane-11beta,21-diol-3,20-dione

> <INCHI_KEY>
CTTOFMJLOGMZRN-BBWLNIHDSA-N

> <INCHI>
InChI=1S/C21H32O4/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/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,19-,20+,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
86381

> <ABBREVIATION>
ST 21:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485682

> <PUBCHEM_COMPOUND_ID>
21145110

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
31362062

$$$$