LMST02020044
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.8560    8.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9458    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9458    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    6.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6765    6.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6765    8.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6765    9.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871   10.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4972    9.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4972    8.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3179    8.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3179    9.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4076   10.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4972   10.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    8.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4076   10.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2893    8.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7662    6.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    9.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6568    7.7516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4972    7.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 17 20  1  1  0  0  0
  2 21  1  0  0  0  0
  3 22  2  0  0  0  0
  5 23  1  6  0  0  0
  8 24  1  1  0  0  0
  9 25  1  6  0  0  0
 14 26  1  6  0  0  0
M  END
> <LM_ID>
LMST02020044

> <COMMON_NAME>
Stenbolone

> <SYSTEMATIC_NAME>
17beta-hydroxy-2-methyl-5alpha-androst-1-en-3-one

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GYBGISLVORKLBN-YNZDMMAESA-N

> <INCHI>
InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C=1C

> <KEGG_ID>
C14490

> <HMDB_ID>
-

> <CHEBI_ID>
34980

> <ABBREVIATION>
ST 20:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
234454

> <LIPIDBANK_ID>
SST0299

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
5780804

$$$$