LMST02020145
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    6.6410    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6410    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5071    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3731    2.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3731    1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5071    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5071    4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3731    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391    4.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391    3.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1051    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    3.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    1.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391    5.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1051    5.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3731    3.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5071    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391    2.2251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6410    3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    4.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  2  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
  4 18  2  0     0  0
 13 19  1  1     0  0
 15 20  1  1     0  0
  8 21  1  1     0  0
  7 22  1  6     0  0
 14 23  1  6     0  0
  1 24  1  1     0  0
 24 25  2  0     0  0
M  END
> <LM_ID>
LMST02020145

> <COMMON_NAME>
19-oxo-testosterone

> <SYSTEMATIC_NAME>
17beta-hydroxyandrost-4-en-3,19-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>
TXNCGXATKOMEQC-KOUJMVCDSA-N

> <INCHI>
InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1

> <SMILES>
[C@@]12(C=O)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC1=CC(=O)CC2

> <KEGG_ID>
C05295

> <HMDB_ID>
-

> <CHEBI_ID>
75308

> <ABBREVIATION>
ST 19:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12850019

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
3857612

$$$$