KEGG   COMPOUND: C21587Help
Entry
C21587                      Compound                               

Name
(13S,14R)-1,13-Dihydroxy-N-methylcanadine
Formula
C21H24NO6
Exact mass
386.1604
Mol weight
386.4184
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 340125647
ChEBI: 141639
KCF data Show

ATOM        28
            1   C1y C    18.4696  -15.5201
            2   C8y C    17.2055  -14.8178
            3   N2y N    19.6634  -14.8178 #+
            4   C1y C    18.4696  -16.9246
            5   C8y C    17.2055  -13.4133
            6   C8y C    16.0117  -15.5201
            7   C1x C    20.8572  -15.4499
            8   C1x C    19.6634  -13.4133
            9   C1a C    20.6466  -13.7645
            10  C8y C    19.6634  -17.5566
            11  C8x C    16.0117  -12.7111
            12  C1x C    18.3993  -12.7111
            13  C8y C    14.7476  -14.8881
            14  C8y C    20.8572  -16.8544
            15  C8x C    19.7336  -18.9612
            16  C8y C    14.7476  -13.4836
            17  O2x O    13.4836  -15.3094
            18  C8y C    22.1213  -17.5566
            19  C8x C    20.9275  -19.6634
            20  O2x O    13.4133  -13.0622
            21  C1x C    12.6408  -14.1858
            22  C8y C    22.1213  -18.9612
            23  O2a O    23.3151  -16.8544
            24  O2a O    23.3151  -19.6634
            25  C1a C    24.5090  -17.5566
            26  C1a C    24.5792  -18.9612
            27  O1a O    16.0117  -16.9246
            28  O1a O    17.2572  -17.6246
BOND        32
            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    4  28 1 #Down

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