LMST02030341
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.2206   -9.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -9.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4372   -9.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   -9.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   -8.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5455   -7.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4372   -8.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4372   -7.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   -6.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6967   -7.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0916   -7.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -7.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -8.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122   -7.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122   -8.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   -8.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2206   -7.1993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122   -6.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122   -5.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0916   -6.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9833   -5.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   -9.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7621   -9.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -6.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371   -6.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0916   -5.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1998   -4.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9833   -4.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8751   -5.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4371   -9.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  0  0  0  0
 16 12  1  0  0  0  0
 16 14  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4 22  1  0  0  0  0
 22  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 12  1  0  0  0  0
 12 24  1  0  0  0  0
 24  9  1  0  0  0  0
  9 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 14  1  0  0  0  0
 20 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  1  0  0  0
 18 19  1  1  0  0  0
 20 21  1  6  0  0  0
 20 26  1  0  0  0  0
 26 28  1  0  0  0  0
 22 23  1  1  0  0  0
 24 25  1  1  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
  3 30  1  6     0  0
M  END
> <LM_ID>
LMST02030341

> <COMMON_NAME>
3beta-Allotetrahydrocorticosterone

> <SYSTEMATIC_NAME>
3beta,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>
3beta,5alpha-Tetrahydrocorticosterone

> <INCHI_KEY>
RHQQHZQUAMFINJ-GKWSUJDHSA-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>
C1C[C@]2([H])[C@]([C@@]3([H])[C@@H](O)C[C@@]4(C)[C@@]([H])(CC[C@@]4(C(=O)CO)[H])[C@]13[H])(C)CC[C@H](O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11530409

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$