LMST02020124
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    8.6758   -6.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5403   -7.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5403   -8.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6758   -8.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8115   -8.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8115   -7.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -6.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692   -7.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692   -8.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4047   -8.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -5.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692   -5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1338   -5.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1338   -6.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9983   -5.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8628   -5.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8628   -6.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9470   -8.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5403   -6.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1338   -4.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2454   -7.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4305   -7.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2949   -6.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161   -5.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9984   -4.3059    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  2  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
  5 18  2  0     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
 14 21  1  6     0  0
  7 22  1  6     0  0
  8 23  1  1     0  0
 11 24  1  1     0  0
 15 25  1  1     0  0
M  END
> <LM_ID>
LMST02020124

> <COMMON_NAME>
11beta-Hydroxytestosterone

> <SYSTEMATIC_NAME>
11beta,17beta-Dihydroxy-4-androsten-3-one

> <FORMULA>
C19H28O3

> <MASS>
304.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C19 steroids (androgens) and derivatives [ST0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-androstene-11beta,17beta-diol-3-one

> <INCHI_KEY>
YQDZGFAYWGWSJK-SLMGBJJTSA-N

> <INCHI>
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1

> <SMILES>
C1CC(=O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]12C

> <KEGG_ID>
C18075

> <HMDB_ID>
-

> <CHEBI_ID>
81481

> <ABBREVIATION>
ST 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
114920

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 8010

> <CITATION>
217678; 750289

$$$$