KEGG   COMPOUND: C06173Help
Entry
C06173                      Compound                               

Name
Thebaine
Formula
C19H21NO3
Exact mass
311.1521
Mol weight
311.3749
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
Source: Papaver somniferum [TAX:3469]
Isoquinoline Alkaloids: Morphinan
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Biosynthesis of secondary metabolites
Opioid analgesics
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06173  Thebaine
BRITE hierarchy
Other DBs
CAS: 
115-37-7
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1z C    28.2836  -17.6426
            2   C8y C    28.2780  -16.3243
            3   C2y C    29.4201  -18.3073
            4   C1y C    27.0658  -18.2903
            5   C1x C    29.4257  -16.9663
            6   C8y C    27.1301  -15.6652
            7   C8y C    29.4257  -15.6652
            8   C1y C    30.5680  -17.6539
            9   C2x C    29.4143  -19.6256
            10  O2x O    25.8345  -16.9890
            11  C2y C    27.1245  -19.6086
            12  C1x C    31.7043  -16.9190
            13  C8y C    27.1301  -14.3355
            14  C1x C    30.5736  -16.3299
            15  C8x C    29.4257  -14.3355
            16  N1y N    31.7157  -18.3187
            17  C2x C    28.2608  -20.2791
            18  O2a O    25.9425  -20.2734
            19  C8x C    28.2836  -13.6764
            20  O2a O    25.9879  -13.6764
            21  C1a C    32.9943  -17.9721
            22  C1a C    24.7720  -19.5859
            23  C1a C    24.8344  -14.3355
BOND        27
            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 2
            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 1
            17   11  18 1
            18   13  19 2
            19   13  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23    6  10 1
            24    8  14 1
            25   11  17 2
            26   12  16 1
            27   15  19 1

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