LMST02030139
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.4646    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797    8.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3797   11.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797   11.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   11.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0868   11.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   10.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   10.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8456   10.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0248    9.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
 10  3  1  0  0  0  0
  3 22  1  0  0  0  0
 24 11  1  0  0  0  0
 11 22  1  0  0  0  0
 22  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 25  1  0  0  0  0
 24  6  1  0  0  0  0
 15 24  1  0  0  0  0
  7 15  1  0  0  0  0
  7 13  1  0  0  0  0
 25  8  1  0  0  0  0
 13 25  1  0  0  0  0
 28 13  1  0  0  0  0
 28  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 15 20  1  1  0  0  0
 28 17  1  0  0  0  0
 17 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 22 23  1  6  0  0  0
 24 26  1  6  0  0  0
 25 27  1  6  0  0  0
 28 29  1  6  0  0  0
  6 30  1  1     0  0
M  END
> <LM_ID>
LMST02030139

> <COMMON_NAME>
3beta-Allotetrahydrocortisol

> <SYSTEMATIC_NAME>
3beta,11beta,17,21-tetrahydroxy-5alpha-pregnane-20-one

> <FORMULA>
C21H34O5

> <MASS>
366.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3beta,5alpha-Tetrahydrocortisol

> <INCHI_KEY>
AODPIQQILQLWGS-VSJLKEFSSA-N

> <INCHI>
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@]2(C)[C@@](O)(C(=O)CO)CC[C@@]32[H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00314

> <CHEBI_ID>
166779

> <ABBREVIATION>
ST 21:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12444612

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$