metopon
  CDK     0223171735
null
 24 28  0  0  0  0  0  0  0  0999 V2000
    1.0565   -4.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283   -4.0019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4131   -3.2928    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0288   -4.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   -4.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152   -3.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8283   -2.5816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0021   -2.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283   -4.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575   -4.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -3.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283   -2.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -1.8725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6567   -2.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6567   -4.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6567   -2.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -1.1531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -4.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -3.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436   -0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2415   -1.8663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   -1.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  6  0  0  0 
  7  3  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  2  0  0  0  0 
  5 11  1  0  0  0  0 
  6  9  2  0  0  0  0 
  6 12  1  0  0  0  0 
 13  7  1  0  0  0  0 
  7 14  1  0  0  0  0 
  7 23  1  1  0  0  0 
  8 15  1  0  0  0  0 
  9 16  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 17  1  0  0  0  0 
 12 18  2  0  0  0  0 
 13 17  1  0  0  0  0 
 13 19  1  0  0  0  0 
 13 24  1  6  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 16 21  2  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:135267

> <NAME>
metopon

> <STAR>
2

> <SYNONYM>
metopone; metopon hydrochloride; metopon HCl; methyldihydromorphinone; 5-Methyldihydromorphinone

> <FORMULA>
C18H21NO3

> <MASS>
299.365

> <MONOISOTOPIC_MASS>
299.15214

> <CHARGE>
0

> <SMILES>
C[C@]12[C@]34C5=C(O1)C(O)=CC=C5C[C@]([C@@]3(CCC2=O)[H])(N(CC4)C)[H]

> <INCHI>
InChI=1S/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3/t11-,12+,17-,18-/m0/s1

> <INCHIKEY>
NPZXCTIHHUUEEJ-CMKMFDCUSA-N

> <CAS_REGISTRY_NUMBER>
143-52-2

$$$$