Mrv0541 02181416492D          

 24 27  0  0  0  0            999 V2000
    4.2027    0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027   -1.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6247   -1.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551   -1.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551   -0.3471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6247    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9098   -0.3471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6247    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551    1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545    0.8573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0545    0.0491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8392   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055    0.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -0.7823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551    0.4765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6247   -0.7823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0513    1.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
  8 14  1  0  0  0  0
 15 14  1  0  0  0  0
 14 20  1  6  0  0  0
 11  9  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 22  1  6  0  0  0
  7  8  1  0  0  0  0
  8 21  1  1  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 23  2  0  0  0  0
 17 24  2  0  0  0  0
M  END
> <ID>
CHEBI:22542

> <NAME>
androstane-3,17-dione

> <DEFINITION>
An androstanoid that is androstane substituted by oxo groups at positions 3 and 17.

> <STAR>
3

> <IUPAC_NAME>
androstane-3,17-dione

> <FORMULA>
C19H28O2

> <MASS>
288.42440

> <MONOISOTOPIC_MASS>
288.20893

> <CHARGE>
0

> <SMILES>
C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@H]1CCC2=O

> <INCHI>
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12?,14-,15-,16-,18-,19-/m0/s1

> <INCHIKEY>
RAJWOBJTTGJROA-RNQTWYFASA-N

> <WIKIPEDIA_ACCESSION>
Androstanedione

$$$$