LMST02030157
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.1269    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6979    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260    7.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8413    6.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1269    7.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8413    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260    8.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3404    8.8025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3404    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.0725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5544    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6260    9.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115    9.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6979    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 14  1  0  0  0  0
  1  2  1  0  0  0  0
 27  2  1  0  0  0  0
 27  3  1  0  0  0  0
 27  6  1  0  0  0  0
  3 23  1  0  0  0  0
 23  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  6 12  1  0  0  0  0
 12  8  1  0  0  0  0
  8  9  1  0  0  0  0
 18  9  1  0  0  0  0
 18 20  1  0  0  0  0
 14 18  1  0  0  0  0
 20 10  1  0  0  0  0
 10 11  1  0  0  0  0
 14 11  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 25  1  0  0  0  0
 25 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  1  0  0  0
M  END
> <LM_ID>
LMST02030157

> <COMMON_NAME>
3-hydroxy-5beta-pregnan-20-one

> <SYSTEMATIC_NAME>
3-hydroxy-5beta-pregnan-20-one

> <FORMULA>
C21H34O2

> <MASS>
318.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AURFZBICLPNKBZ-IYEURWCSSA-N

> <INCHI>
InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15?,16+,17-,18+,19+,20+,21-/m1/s1

> <SMILES>
C1C[C@@]2([H])[C@]([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(C(=O)C)[H])[C@]13[H])(C)CCC(O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
50171

> <ABBREVIATION>
ST 21:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24820761

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$