ChEBI
  Marvin  05080609122D          

 25 28  0  0  0  0            999 V2000
    6.8536   -5.1877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8536   -5.9969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4220   -5.9969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1534   -6.3937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7062   -6.3937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6395   -4.9310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1534   -4.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -5.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6395   -6.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1064   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1534   -7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -7.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -5.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982   -5.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9982   -7.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -6.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -7.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8536   -6.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1534   -5.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220   -6.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5937   -7.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8990   -4.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8536   -4.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -5.1559    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
  4  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 19  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 21  1  6  0  0  0
 11  4  1  0  0  0  0
  4 20  1  1  0  0  0
 12  5  1  0  0  0  0
  5 14  1  1  0  0  0
 15  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
 16 12  2  0  0  0  0
 13 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
 22 18  2  0  0  0  0
  6 23  1  1  0  0  0
  1 24  1  1  0  0  0
 25 14  1  0  0  0  0
M  END
> <ID>
CHEBI:798

> <NAME>
19-hydroxytestosterone

> <DEFINITION>
A 3-oxo Δ4-steroid that is testosterone which is substituted by a hydroxy group at positions 19.

> <STAR>
3

> <SYNONYM>
19-hydroxytestosterone; 19-Hydroxytestosterone; 17beta,19-Dihydroxyandrost-4-en-3-one

> <IUPAC_NAME>
17beta,19-dihydroxyandrost-4-en-3-one

> <FORMULA>
C19H28O3

> <MASS>
304.42382

> <MONOISOTOPIC_MASS>
304.20384

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1

> <INCHIKEY>
YLTCTXBDDHSLCS-KOUJMVCDSA-N

> <CAS_REGISTRY_NUMBER>
2126-37-6

> <CHEMIDPLUS>
2126-37-6

> <KEGG_COMPOUND_ACCESSION>
C05294

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02020070

> <PUBMED_CITATION>
8326254; 8528358

$$$$