Marvin  08290617112D          

 24 27  0  0  0  0            999 V2000
   -1.6235    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6235   -1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946   -1.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525   -1.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -0.2066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9090    0.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344   -0.6191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946    0.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1946   -0.6191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199   -0.2066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5199    0.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2344    0.2059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2344    1.0309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0190   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5039    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2741    2.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190    1.2858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3 12  2  0  0  0  0
 10 15  1  0  0  0  0
 12 10  1  0  0  0  0
 12  4  1  0  0  0  0
  4  5  1  0  0  0  0
 17  5  1  0  0  0  0
 17 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15  7  1  0  0  0  0
  6  7  1  0  0  0  0
 20  6  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  1  0  0  0
 19 14  1  6  0  0  0
 20 13  1  1  0  0  0
 15 16  1  6  0  0  0
 17 18  1  1  0  0  0
 24 23  1  1  0  0  0
 21 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <ID>
CHEBI:7466

> <NAME>
nandrolone

> <DEFINITION>
A 3-oxo Δ4-steroid that is estr-4-en-3-one substituted by a β-hydroxy group at position 17.

> <STAR>
3

> <SYNONYM>
Nandrolone; 4-estren-17beta-ol-3-one; 19-Nortestosterone; 19-Norandrostenolone; 17-beta-hydroxyestr-4-en-3-one; 17beta-hydroxy-4-estren-3-one; 17beta-hydroxy-19-nor-4-androsten-3-one; (17beta)-17-hydroxyestr-4-en-3-one

> <IUPAC_NAME>
17beta-hydroxyestr-4-en-3-one

> <FORMULA>
C18H26O2

> <MASS>
274.39780

> <MONOISOTOPIC_MASS>
274.19328

> <CHARGE>
0

> <SMILES>
[H][C@]12CCC(=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@@H](O)CC[C@@]12[H]

> <INCHI>
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1

> <INCHIKEY>
NPAGDVCDWIYMMC-IZPLOLCNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4690380

> <CAS_REGISTRY_NUMBER>
434-22-0

> <GMELIN_REGISTRY_NUMBER>
1228044

> <REAXYS_REGISTRY_NUMBER>
2055849

> <CHEMIDPLUS>
434-22-0

> <DRUGBANK_ACCESSION>
DB00984

> <KEGG_COMPOUND_ACCESSION>
C07254

> <KEGG_DRUG_ACCESSION>
D08250

> <WIKIPEDIA_ACCESSION>
Nandrolone

> <PUBMED_CITATION>
11888015; 19055689; 20020363; 24405322

$$$$