KEGG   COMPOUND: C06171
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
297.35
Structure
Reaction
R05124 R05125
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.247       5.3.3.24
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06171  Codeinone
Other DBs
CAS: 467-13-0
PubChem: 8422
ChEBI: 18399
KNApSAcK: C00027603
NIKKAJI: J11.325E
LinkDB
KCF data

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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