KEGG   COMPOUND: C21588Help
Entry
C21588                      Compound                               

Name
(13S,14R)-1-Hydroxy-13-O-acetyl-N-methylcanadine
Formula
C23H26NO7
Exact mass
428.1709
Mol weight
428.455
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 340125648
ChEBI: 141640
KCF data Show

ATOM        31
            1   C1y C    18.5217  -15.5050
            2   C8y C    17.2588  -14.8035
            3   N2y N    19.7143  -14.8035 #+
            4   C1y C    18.5217  -16.9082
            5   C8y C    17.2588  -13.4003
            6   C8y C    16.0662  -15.5050
            7   C1x C    20.9070  -15.4349
            8   C1x C    19.7143  -13.4003
            9   C1a C    20.6966  -13.7511
            10  C8y C    19.7143  -17.5396
            11  C8x C    16.0662  -12.6987
            12  C1x C    18.4515  -12.6987
            13  C8y C    14.8033  -14.8736
            14  C8y C    20.9070  -16.8381
            15  C8x C    19.7844  -18.9427
            16  C8y C    14.8033  -13.4704
            17  O2x O    13.5404  -15.2946
            18  C8y C    22.1699  -17.5396
            19  C8x C    20.9772  -19.6443
            20  O2x O    13.4703  -13.0495
            21  C1x C    12.6986  -14.1720
            22  C8y C    22.1699  -18.9427
            23  O2a O    23.3625  -16.8381
            24  O2a O    23.3625  -19.6443
            25  C1a C    24.5552  -17.5396
            26  C1a C    24.6254  -18.9427
            27  O1a O    16.0662  -16.9082
            28  O7a O    17.2956  -17.6605
            29  C7a C    17.3658  -19.0637
            30  C1a C    16.1533  -19.7637
            31  O6a O    18.5782  -19.7637
BOND        35
            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     3   9 1
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26    8  12 1
            27   10  14 2
            28   13  16 2
            29   19  22 1
            30   20  21 1
            31    6  27 1
            32   28  29 1
            33    4  28 1 #Down
            34   29  30 1
            35   29  31 2

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