LMST02030142
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2689    5.8590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2689    6.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.8590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    5.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.6840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    7.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6259    6.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    8.1764    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8808    8.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2974    9.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.9215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    8.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    8.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.9215    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4123    7.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    6.6840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    7.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6878    9.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5006    9.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    8.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.2715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.2715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  1  0  0  0
 13 22  2  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  1  0  0  0
  1 25  1  6  0  0  0
  5 26  1  6  0  0  0
 19 27  1  6  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
M  END
> <LM_ID>
LMST02030142

> <COMMON_NAME>
5alpha-Tetrahydrocorticosterone

> <SYSTEMATIC_NAME>
3alpha,11beta,21-Trihydroxy-5alpha-pregnan-20-one

> <FORMULA>
C21H34O4

> <MASS>
350.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Allotetrahydrocorticosterone

> <INCHI_KEY>
RHQQHZQUAMFINJ-NZTKVECHSA-N

> <INCHI>
InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1

> <SMILES>
[C@H]1(O)C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)CO)CC3)CC2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0000449

> <CHEBI_ID>
89328

> <ABBREVIATION>
ST 21:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$