LMST02030095
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.4583    7.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7502    7.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4509    8.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2405    7.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    7.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7502    6.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331    8.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7502    8.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    9.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7076    7.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    8.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    5.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0533    9.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    9.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3414    6.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6204    7.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340    7.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340    8.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6576    9.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2729    9.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6315    5.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9122    7.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4778   10.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4675    6.6563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7502    7.8797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0403    6.6414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3581    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  1  0  0  0
  7 15  1  6  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 12 19  2  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 13 16  1  0  0  0  0
 23 25  1  0  0  0  0
  1 27  1  6  0  0  0
  2 28  1  1  0  0  0
  5 29  1  6  0  0  0
 16 30  1  1  0  0  0
M  END
> <LM_ID>
LMST02030095

> <COMMON_NAME>
4,5beta-Dihydrocortisone

> <SYSTEMATIC_NAME>
17,21-dihydroxy-5beta-pregnane-3,11,20-trione

> <FORMULA>
C21H30O5

> <MASS>
362.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione; 4,5beta-Dihydrocortisone; 4,5beta-dihydrocortisone; 5-dihydrocortisone; 5beta-Pregnane-17alpha,21-diol-3,11,20-trione

> <INCHI_KEY>
YCLWEYIBFOLMEM-FNLRALKVSA-N

> <INCHI>
InChI=1S/C21H30O5/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/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1

> <SMILES>
[C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)CCC(=O)C[C@@]3([H])CC[C@@]21[H]

> <KEGG_ID>
C05469

> <HMDB_ID>
HMDB0006758

> <CHEBI_ID>
18093

> <ABBREVIATION>
ST 21:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485356

> <PUBCHEM_COMPOUND_ID>
65554

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$