KEGG   COMPOUND: C11818
Entry
C11818                      Compound                               
Name
(R)-Canadine
Formula
C20H21NO4
Exact mass
339.1471
Mol weight
339.38
Structure
Reaction
R07169
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.5.1.31
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C11818  (R)-Canadine
Other DBs
CAS: 2086-96-6
PubChem: 13982
ChEBI: 18146
NIKKAJI: J9.574E
LinkDB
KCF data

ATOM        25
            1   C1y C    26.3062  -19.9512
            2   C8y C    25.0824  -19.2752
            3   N1y N    27.5126  -19.2459
            4   C1x C    26.3121  -21.3383
            5   C8y C    25.0707  -17.8705
            6   C8x C    23.8817  -19.9979
            7   C1x C    28.7249  -19.9279
            8   C1x C    27.4952  -17.8473
            9   C8y C    27.5359  -22.0318
            10  C8x C    23.8410  -17.1828
            11  C1x C    26.2771  -17.1537
            12  C8y C    22.5821  -19.3159
            13  C8y C    28.6666  -21.3207
            14  C8x C    27.5418  -23.4248
            15  C8y C    22.6288  -17.9114
            16  O2x O    21.3233  -19.7705
            17  C8y C    29.9487  -22.0144
            18  C8x C    28.7599  -24.1066
            19  O2x O    21.2884  -17.4917
            20  C1x C    20.4783  -18.6458
            21  C8y C    29.9604  -23.4072
            22  O2a O    31.1552  -21.2974
            23  O2a O    31.1726  -24.1008
            24  C1a C    32.3673  -21.9851
            25  C1a C    32.3906  -23.3955
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    8  11 1
            26    9  13 2
            27   12  15 2
            28   18  21 1
            29   19  20 1

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