28 30  0  0  0  0  0  0  0  0999 V2000
   26.7405  -21.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7405  -22.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5505  -23.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2905  -22.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2905  -21.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5505  -20.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8405  -22.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8405  -21.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1004  -20.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6505  -23.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4604  -22.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4604  -21.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6505  -20.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1004  -18.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8405  -18.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2905  -18.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9305  -23.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1205  -22.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3805  -23.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2905  -16.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4805  -16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7405  -16.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7405  -18.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4805  -18.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5705  -22.4003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7606  -23.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6505  -18.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8233  -16.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  5  9  1  0     0  0
  7 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
  8 13  2  0     0  0
  9 14  2  0     0  0
 14 15  1  0     0  0
 14 16  1  0     0  0
  2 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 16 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 16 24  1  0     0  0
 19 25  1  0     0  0
 25 26  1  0     0  0
 15 27  1  0     0  0
 15 28  1  0     0  0
M  END
> <ID>
CHEBI:80557

> <NAME>
alpha-Hydroxy-N-desmethyltamoxifen

> <STAR>
2

> <FORMULA>
C25H27NO2

> <MASS>
373.48740

> <MONOISOTOPIC_MASS>
373.20418

> <CHARGE>
0

> <SMILES>
CNCCOc1ccc(cc1)C(\c1ccccc1)=C(\C(C)O)c1ccccc1

> <INCHI>
InChI=1S/C25H27NO2/c1-19(27)24(20-9-5-3-6-10-20)25(21-11-7-4-8-12-21)22-13-15-23(16-14-22)28-18-17-26-2/h3-16,19,26-27H,17-18H2,1-2H3/b25-24-

> <INCHIKEY>
GREXPZNIZPCGIV-IZHYLOQSSA-N

> <KEGG_COMPOUND_ACCESSION>
C16549

$$$$