Ketcher 11042010442D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:157754

> <NAME>
1-hydroxy-5alpha-androstan-3,17-dione

> <STAR>
2

> <SYNONYM>
1-hydroxy-5alpha-androstan-3,17-dione

> <FORMULA>
C19H28O3

> <MASS>
304.430

> <MONOISOTOPIC_MASS>
304.20384

> <CHARGE>
0

> <SMILES>
[C@@]12(CC[C@@]3(C)[C@@]([C@@]1(CC[C@@]4([C@]2(C)C(CC(C4)=O)O)[H])[H])([H])CCC3=O)[H]

> <INCHI>
InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11,13-15,17,22H,3-10H2,1-2H3/t11-,13-,14-,15-,17?,18-,19-/m0/s1

> <INCHIKEY>
YCZHNKMIZDECIP-LQSVDBQCSA-N

> <METACYC_ACCESSION>
CPD-23355

$$$$