LMST02030308
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
   10.5131    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5075    9.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6634    9.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6510    8.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819    9.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3784    8.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1088    8.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1122    9.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2488    9.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5102    8.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503   10.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2522   10.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0990   11.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9423   10.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3774    7.2762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910    6.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6510    6.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5131    6.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    8.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0822    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0822    6.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9365    6.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7910    8.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1013   10.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5973   11.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8787    9.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    6.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6510    7.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505    5.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  6  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
 16 24  1  1  0  0  0
  9 25  1  6  0  0  0
 12 26  2  0  0  0  0
 22 28  2  0  0  0  0
  4 29  1  6  0  0  0
  3 27  2  0  0  0  0
  9 12  1  1  0  0  0
 18 30  1  1     0  0
M  END
> <LM_ID>
LMST02030308

> <COMMON_NAME>
6beta-hydroxycortisone

> <SYSTEMATIC_NAME>
6beta,17,21-trihydroxypregn-4-ene-3,11,20-trione

> <FORMULA>
C21H28O6

> <MASS>
376.19

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-pregnene-6beta,17alpha,21-triol-3,11,20-trione

> <INCHI_KEY>
BCHHPSBWEQCAPG-WTCKOWDJSA-N

> <INCHI>
InChI=1S/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,18+,19-,20-,21-/m0/s1

> <SMILES>
[C@]12(C[C@@H](O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)[C@](C(=O)CO)(O)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
139269

> <ABBREVIATION>
ST 21:4;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000598057

> <PUBCHEM_COMPOUND_ID>
53674638

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
13941685

$$$$