ChEBI


 25 28  0  0  0  0  0  0  0  0  1 V2000
   12.0966   -6.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0966   -7.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894   -7.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681   -7.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358   -7.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3631   -5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681   -5.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894   -6.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3631   -7.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1155   -6.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681   -9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358   -9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894   -9.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0966   -4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358   -6.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4947   -7.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4947   -9.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285   -7.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285   -9.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0966   -8.6882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9681   -6.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894   -8.6882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313   -9.9433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7813   -4.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740   -5.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  1 14  1  1  0  0  0
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 20  1  6  0  0  0
  8  3  1  0  0  0  0
  5  3  1  0  0  0  0
  4  3  1  0  0  0  0
  3 22  1  6  0  0  0
 11  4  1  0  0  0  0
  4 21  1  1  0  0  0
 12  5  1  0  0  0  0
  5 15  1  1  0  0  0
 16  5  1  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 13 11  1  0  0  0  0
 17 12  2  0  0  0  0
 13 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24  6  2  0  0  0  0
  8 25  1  1  0  0  0
M  END
> <ID>
CHEBI:27967

> <NAME>
11beta-hydroxyandrost-4-ene-3,17-dione

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19132; CHEBI:736

> <SYNONYM>
Androst-4-ene-3,17-dione-11beta-ol; 4-androsten-11beta-ol-3,17-dione; 4-Androsten-11beta-ol-3,17-dione; 11-beta-hydroxyandrost-4-ene-3,17-dione; 11beta-hydroxyandrost-4-ene-3,17-dione; 11beta-Hydroxyandrost-4-ene-3,17-dione; 11beta-Hydroxy-4-androstene-3,17-dione

> <IUPAC_NAME>
11beta-hydroxyandrost-4-ene-3,17-dione

> <FORMULA>
C19H26O3

> <MASS>
302.40794

> <MONOISOTOPIC_MASS>
302.18819

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)C(=O)CC[C@@]21[H]

> <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/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1

> <INCHIKEY>
WSCUHXPGYUMQEX-KCZNZURUSA-N

> <CAS_REGISTRY_NUMBER>
382-44-5

> <KEGG_COMPOUND_ACCESSION>
C05284

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02020066

$$$$