24 27  0  0  1  0  0  0  0  0999 V2000
   25.0051  -23.8481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.8591  -24.5063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.0106  -22.5320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.3477  -23.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7188  -23.8310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.8591  -25.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8819  -21.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1623  -21.8851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.0051  -21.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3667  -22.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5672  -24.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7301  -22.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7074  -26.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1567  -20.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5616  -25.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4213  -23.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4213  -26.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2131  -24.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2055  -25.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1236  -26.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0579  -25.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8477  -23.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7074  -25.2887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5352  -23.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  1     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  8 14  1  1     0  0
 11 15  1  0     0  0
 11 16  1  0     0  0
 15 17  2  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 19 20  1  1     0  0
  7 12  1  0     0  0
  8 10  1  0     0  0
 13 15  1  0     0  0
 18 19  1  0     0  0
  1 21  1  6     0  0
  2 22  1  1     0  0
  5 23  1  6     0  0
 11 24  1  1     0  0
M  END
> <ID>
CHEBI:34386

> <NAME>
4-Androstenediol

> <STAR>
2

> <SYNONYM>
Androst-4-ene-3beta,17beta-diol; 4-Androstenediol

> <FORMULA>
C19H30O2

> <MASS>
290.441

> <MONOISOTOPIC_MASS>
290.22458

> <CHARGE>
0

> <SMILES>
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O

> <INCHI>
InChI=1S/C19H30O2/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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

> <INCHIKEY>
BTTWKVFKBPAFDK-LOVVWNRFSA-N

> <CAS_REGISTRY_NUMBER>
1156-92-9

> <KEGG_COMPOUND_ACCESSION>
C14210

$$$$