LMST02030283
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
   13.3485   -7.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3431   -5.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4969   -5.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846   -6.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2197   -5.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2159   -6.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9507   -6.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9541   -5.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0887   -5.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3457   -6.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1879   -4.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0919   -4.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9410   -3.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7863   -4.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2151   -7.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6225   -7.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6225   -8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846   -8.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3485   -8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7658   -6.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9094   -7.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9094   -8.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7658   -8.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6225   -6.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4355   -3.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -8.4735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846   -7.4959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6191   -8.7801    0.0000 H   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  1  6  0  0  0
  4 27  1  6  0  0  0
  9 12  1  1  0  0  0
 17 28  1  1     0  0
M  END
> <LM_ID>
LMST02030283

> <COMMON_NAME>
Tetrahydrodeoxycorticosterone

> <SYSTEMATIC_NAME>
3alpha,21-Dihydroxy-5beta-pregnan-20-one

> <FORMULA>
C21H34O3

> <MASS>
334.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta-pregnan-3alpha,21-diol-20-one

> <INCHI_KEY>
CYKYBWRSLLXBOW-DATPGIFZSA-N

> <INCHI>
InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9974162

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
31362062

$$$$