LMST02030264
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
   10.7195    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7195    1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8472    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8472    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    3.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4642    1.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4643    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    5.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0814    5.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9537    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9537    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750    1.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0814    6.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9536    6.7324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2091    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    5.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    4.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3219    2.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4124    2.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625    3.9334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    1.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  5 18  1  6     0  0
 15 19  1  1     0  0
 19 20  1  6     0  0
 19 21  1  0     0  0
 13 22  1  1     0  0
  2 23  1  1     0  0
 14 24  1  6     0  0
  7 25  1  6     0  0
  8 26  1  1     0  0
  3 27  1  1     0  0
M  END
> <LM_ID>
LMST02030264

> <COMMON_NAME>
20alpha-Pregnanediol

> <SYSTEMATIC_NAME>
5beta-Pregnane-3alpha,20alpha-diol

> <FORMULA>
C21H36O2

> <MASS>
320.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YWYQTGBBEZQBGO-BERLURQNSA-N

> <INCHI>
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1

> <SMILES>
C1C[C@@H](O)C[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)O)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
C05484

> <HMDB_ID>
-

> <CHEBI_ID>
8387

> <ABBREVIATION>
ST 21:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
219833

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
-

$$$$