KEGG   COMPOUND: C06171Help
Entry
C06171                      Compound                               

Name
Codeinone;
(5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one
Formula
C18H19NO3
Exact mass
297.1365
Mol weight
297.3484
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06171  Codeinone
BRITE hierarchy
Other DBs
CAS: 
467-13-0
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1z C    24.9716  -16.4955
            2   C8y C    24.9660  -15.1838
            3   C1y C    26.0975  -17.1598
            4   C1y C    23.8233  -17.1428
            5   C1x C    26.0975  -15.8256
            6   C8y C    23.8233  -14.5308
            7   C8y C    26.1031  -14.5308
            8   C1y C    27.2403  -16.5068
            9   C2x C    26.0918  -18.4714
            10  O2x O    22.5172  -15.7469
            11  C5x C    23.8175  -18.4546
            12  C1x C    28.3718  -15.8481
            13  C8y C    23.8233  -13.2080
            14  C1x C    27.2459  -15.1895
            15  C8x C    26.1031  -13.2080
            16  N1y N    28.3831  -17.1711
            17  C2x C    24.9490  -19.1189
            18  O5x O    22.6692  -19.1131
            19  C8x C    24.9716  -12.5492
            20  O2a O    22.6805  -12.5492
            21  C1a C    29.6553  -16.8220
            22  C1a C    21.5377  -13.2080
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 2
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20   16  21 1
            21   20  22 1
            22    6  10 1
            23    8  14 1
            24   11  17 1
            25   12  16 1
            26   15  19 1

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