LMST02020088
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.9214    7.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9160    9.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0704    9.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0789    8.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    9.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    8.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4589    8.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4624    9.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6183    9.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7400   10.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2383    7.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2383    6.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0789    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9214    6.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    8.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5677    7.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5677    6.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    6.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0789    7.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    7.3377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9214    8.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3063    9.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6215   10.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2383    8.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  1  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  1  0  0  0
  4 20  1  6  0  0  0
  6 21  1  6  0  0  0
  1 22  1  1  0  0  0
  8 23  2  0  0  0  0
  9 24  1  1  0  0  0
 11 25  1  1  0  0  0
M  END
> <LM_ID>
LMST02020088

> <COMMON_NAME>
16-Oxoandrostenediol

> <SYSTEMATIC_NAME>
3-beta,17-beta-hihydroxyandrost-5-en-16-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>


> <INCHI_KEY>
AKRBLZKRYPEVIK-PEMPUTJUSA-N

> <INCHI>
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1

> <SMILES>
[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)C(=O)C[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00322

> <CHEBI_ID>
173191

> <ABBREVIATION>
ST 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
150890

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
14325182

$$$$