LMST02030166
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.1269    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1269    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8413    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1269    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6259    7.9775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2689    5.6600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6259    8.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115    9.2150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3404    8.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3404    9.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0549    8.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15 11  1  0  0  0  0
 15 13  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4 19  1  0  0  0  0
 19  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
 11 28  1  0  0  0  0
 28  8  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 18 23  1  6  0  0  0
 18 21  1  0  0  0  0
 19 20  1  1  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  1  1  0  0  0
 17 27  1  1  0  0  0
 28 29  1  1  0  0  0
M  END
> <LM_ID>
LMST02030166

> <COMMON_NAME>
11beta,17alpha,21-trihydroxypregnenolone

> <SYSTEMATIC_NAME>
3beta,11beta,17,21-tetrahydroxypregn-5-en-20-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>
11beta,17alpha,21-Trihydroxypregnenolone

> <INCHI_KEY>
HAFVWTUQBYRPOB-HCMGWXKDSA-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/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1

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

> <KEGG_ID>
C05489

> <HMDB_ID>
-

> <CHEBI_ID>
27783

> <ABBREVIATION>
ST 21:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11966170

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$