KEGG   COMPOUND: C21589
Entry
C21589                      Compound                               
Name
(13S,14R)-13-O-Acetyl-1,8-dihydroxy-cis-N-methylcanadine
Formula
C23H26NO8
Exact mass
444.1658
Mol weight
444.45
Structure
Reaction
R11690 R11691
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00946  Noscapine biosynthesis, (S)-reticuline => noscapine
Enzyme
1.14.14.167
Other DBs
PubChem: 340125649
LinkDB
KCF data

ATOM        32
            1   C1y C    18.5292  -15.2774
            2   C8y C    17.2848  -14.5862
            3   N2y N    19.7044  -14.5862 #+
            4   C1y C    18.5292  -16.7292
            5   C8y C    17.2848  -13.2035
            6   C8y C    16.1096  -15.2774
            7   C1y C    20.8797  -15.2083
            8   C1x C    19.7044  -13.2035
            9   C1a C    20.7396  -12.7802
            10  C8y C    19.7044  -17.3514
            11  C8x C    16.1096  -12.5122
            12  C1x C    18.4601  -12.5122
            13  C8y C    14.7962  -14.5858
            14  C8y C    20.8797  -16.6601
            15  C8x C    19.7041  -18.7340
            16  C8y C    14.7962  -13.2727
            17  O2x O    13.5517  -15.0700
            18  C8y C    22.1240  -17.3514
            19  C8x C    20.9488  -19.4253
            20  O2x O    13.4827  -12.8578
            21  C1x C    12.7222  -13.9639
            22  C8y C    22.1240  -18.7340
            23  O2a O    23.2992  -16.6601
            24  O2a O    23.2992  -19.4253
            25  C1a C    24.4745  -17.3514
            26  C1a C    24.5436  -18.7340
            27  O1a O    16.1096  -16.7292
            28  O7a O    17.2848  -17.4205
            29  C7a C    17.2845  -18.8031
            30  C1a C    16.1787  -19.4944
            31  O6a O    18.5292  -19.4944
            32  O1a O    22.0828  -14.5136
BOND        36
            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 #Down
            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
            36    7  32 1

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