LMST02030270
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   14.7183   -6.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8559   -7.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093   -5.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6710   -7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9913   -6.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8559   -8.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6622   -5.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8559   -5.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4249   -4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2401   -6.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310   -7.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9913   -5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9913   -8.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4431   -4.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4773   -4.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1400   -8.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -6.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310   -6.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310   -5.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1791   -3.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4925   -4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2755   -8.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3992   -7.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4083   -8.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5232   -8.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7295   -7.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8559   -6.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9913   -7.7397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2839   -3.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  1     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  1     0  0
  7 15  1  6     0  0
 11 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  1     0  0
 12 19  1  1     0  0
 14 20  1  1     0  0
 14 21  1  0     0  0
 16 22  2  0     0  0
 17 23  1  0     0  0
 22 24  1  0     0  0
 24 25  2  0     0  0
  7 10  1  0     0  0
  8 12  1  0     0  0
 13 16  1  0     0  0
 23 24  1  0     0  0
  1 26  1  6     0  0
  2 27  1  1     0  0
  5 28  1  6     0  0
 21 29  1  0     0  0
M  END
> <LM_ID>
LMST02030270

> <COMMON_NAME>
20beta-Hydroxycortisol

> <SYSTEMATIC_NAME>
4-Pregnene-11beta,17alpha,20beta,21-tetrol-3-one

> <FORMULA>
C21H32O5

> <MASS>
364.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Reichstein's compound E; 20beta-dihydrocortisol

> <INCHI_KEY>
AWWCEQOCFFQUKS-LCGKLAOVSA-N

> <INCHI>
InChI=1S/C21H32O5/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/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1

> <SMILES>
[C@@]12([H])CC[C@](O)([C@@H](CO)O)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
139311

> <ABBREVIATION>
ST 21:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12150498

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
28878267

$$$$