25 28  0  0  1  0  0  0  0  0999 V2000
   18.0172  -17.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0172  -18.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1951  -19.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3730  -18.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3730  -17.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1951  -16.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5509  -19.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7288  -18.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7288  -17.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5509  -16.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9068  -16.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9068  -15.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7288  -14.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5509  -15.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2625  -16.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2625  -15.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0846  -14.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5535  -17.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9338  -17.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7797  -15.8592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9338  -13.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0898  -13.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7977  -19.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3700  -15.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2734  -12.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  4  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  5 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 12 17  1  0     0  0
 10 18  1  6     0  0
 11 19  1  6     0  0
  9 20  1  1     0  0
 12 21  1  1     0  0
 17 22  1  1     0  0
  2 23  1  1     0  0
  5 24  1  1     0  0
 22 25  1  0     0  0
M  END
> <ID>
CHEBI:34356

> <NAME>
3beta-Hydroxypregn-5-ene

> <STAR>
2

> <SYNONYM>
5-Pregnen-3beta-ol; 3beta-Hydroxypregn-5-ene

> <FORMULA>
C21H34O

> <MASS>
302.495

> <MONOISOTOPIC_MASS>
302.26097

> <CHARGE>
0

> <SMILES>
CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <INCHI>
InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5,14,16-19,22H,4,6-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,21-/m0/s1

> <INCHIKEY>
QWUGXTUSOZVHEM-UZCUGSDUSA-N

> <CAS_REGISTRY_NUMBER>
2862-58-0

> <KEGG_COMPOUND_ACCESSION>
C14482

$$$$