LMST02020120
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5662    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7013    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7013    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5662    6.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    6.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1608    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1608    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2959    9.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1608    9.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    9.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7553    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7553    9.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8905    9.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1608    8.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    7.3040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256    7.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4590    9.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    6.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8905   10.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0256   10.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310    8.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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
  8 18  1  1  0  0  0
  9 19  1  6  0  0  0
 14 20  1  6  0  0  0
 11 21  2  0     0  0
  3 22  2  0     0  0
 17 23  1  1     0  0
 13 24  1  1     0  0
 10 25  1  1     0  0
M  END
> <LM_ID>
LMST02020120

> <COMMON_NAME>
11-ketoTestosterone

> <SYSTEMATIC_NAME>
17beta-hydroxyandrost-4-en-3,11-dione

> <FORMULA>
C19H26O3

> <MASS>
302.19

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTPMRQZHJLJSBO-XQALERBDSA-N

> <INCHI>
InChI=1S/C19H26O3/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/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C(=O)C[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

> <KEGG_ID>
C14256

> <HMDB_ID>
-

> <CHEBI_ID>
34133

> <ABBREVIATION>
ST 19:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282365

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7957; 9606

> <CITATION>
19369122; 23856005

$$$$