28 31  0  0  1  0  0  0  0  0999 V2000
   27.0475  -19.7828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8817  -19.1148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.2197  -19.1026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0291  -21.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218  -19.7950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.8695  -17.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2256  -17.7484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.5637  -19.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8877  -21.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218  -21.1309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.5801  -19.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7036  -18.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0415  -17.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3977  -17.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2255  -16.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5637  -17.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5618  -21.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4203  -19.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4203  -21.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0415  -18.5317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8755  -20.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2894  -20.4205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3706  -19.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1852  -21.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9966  -21.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7991  -21.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0035  -19.7401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7218  -22.5309    0.0000 H   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
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  1     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  7 15  1  1     0  0
  8 16  1  0     0  0
 10 17  1  0     0  0
 11 18  1  0     0  0
 17 19  1  0     0  0
  7 13  1  0     0  0
  9 10  1  0     0  0
 14 16  1  0     0  0
 18 19  1  0     0  0
  1 20  1  1     0  0
  2 21  1  6     0  0
  3 22  1  6     0  0
  8 23  1  0     0  0
 23  3  1  0     0  0
 19 24  1  1     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 10 28  1  6     0  0
M  END
> <ID>
CHEBI:79657

> <NAME>
D-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate

> <STAR>
2

> <FORMULA>
C21H34O3

> <MASS>
334.49290

> <MONOISOTOPIC_MASS>
334.25079

> <CHARGE>
0

> <SMILES>
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCCO[C@@]4(C)CC[C@H]23)C1

> <INCHI>
InChI=1S/C21H34O3/c1-14(22)24-16-8-10-20(2)15(13-16)6-7-17-18(20)9-11-21(3)19(17)5-4-12-23-21/h15-19H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1

> <INCHIKEY>
WIXLMLSHJRVECU-YQUGOWONSA-N

> <KEGG_COMPOUND_ACCESSION>
C15139

$$$$