28 30  0  0  0  0  0  0  0  0999 V2000
   23.6453  -20.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6453  -18.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8348  -20.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3859  -21.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8348  -18.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3859  -18.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8348  -22.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0243  -20.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4558  -22.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1964  -20.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8348  -16.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0243  -18.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1964  -18.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0942  -23.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2837  -20.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2664  -23.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0069  -21.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0243  -16.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2137  -18.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2837  -22.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0069  -22.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2137  -16.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4732  -23.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8174  -23.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7326  -22.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9221  -23.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1116  -22.3211    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   33.3710  -23.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
  6 13  1  0     0  0
  7 14  2  0     0  0
  8 15  1  0     0  0
  9 16  2  0     0  0
 10 17  1  0     0  0
 11 18  2  0     0  0
 12 19  1  0     0  0
 14 20  1  0     0  0
 16 21  1  0     0  0
 18 22  1  0     0  0
 20 23  1  0     0  0
 21 24  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 15 20  2  0     0  0
 17 21  2  0     0  0
 19 22  2  0     0  0
M  END
> <ID>
CHEBI:80555

> <NAME>
4-Hydroxy-N-desmethyltamoxifen

> <STAR>
2

> <SYNONYM>
Endoxifen

> <FORMULA>
C25H27NO2

> <MASS>
373.48740

> <MONOISOTOPIC_MASS>
373.20418

> <CHARGE>
0

> <SMILES>
CC\C(c1ccccc1)=C(/c1ccc(O)cc1)c1ccc(OCCNC)cc1

> <INCHI>
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-

> <INCHIKEY>
MHJBZVSGOZTKRH-IZHYLOQSSA-N

> <CAS_REGISTRY_NUMBER>
112093-28-4

> <KEGG_COMPOUND_ACCESSION>
C16547

$$$$