LMST02030320
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    5.9250   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0590   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0590   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6571   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5231   -6.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5231   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6571   -7.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6570   -4.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5230   -4.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891   -4.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2551   -4.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1212   -4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1213   -5.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8322   -5.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891   -3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2551   -3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4981   -5.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9250   -8.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930   -7.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930   -5.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7910   -7.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821   -6.3250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4141   -6.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1212   -2.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9872   -4.1247    0.0000 O   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
  2 18  1  1     0  0
 13 19  1  1     0  0
 15 20  1  1     0  0
  8 21  1  1     0  0
  4 22  1  1     0  0
  5 23  1  1     0  0
  6 24  1  6     0  0
  3 25  1  6     0  0
  7 26  1  6     0  0
 14 27  1  6     0  0
 20 28  1  0     0  0
 16 29  2  0     0  0
M  END
> <LM_ID>
LMST02030320

> <COMMON_NAME>
2alpha,3beta,4beta-trihydroxypregnan-16-one

> <SYSTEMATIC_NAME>
2alpha,3beta,4beta-trihydroxy-5alpha-pregnan-16-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>


> <INCHI_KEY>
JHBBZIAPXDEPET-GARNSYDYSA-N

> <INCHI>
InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14+,15+,17-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1[C@@H](O)[C@H](O)[C@H](O)[C@]2([H])CC[C@@]3([H])[C@]4([H])CC(=O)[C@H](CC)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1640486

> <CITATION>
-

$$$$