KEGG   COMPOUND: C21588
Entry
C21588                      Compound                               
Name
(13S,14R)-13-O-Acetyl-1-hydroxy-cis-N-methylcanadine
Formula
C23H26NO7
Exact mass
428.1709
Mol weight
428.455
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00946  Noscapine biosynthesis, (S)-reticuline => noscapine
Enzyme
Other DBs
PubChem: 340125648
ChEBI: 141640
LinkDB
KCF data

ATOM        31
            1   C1y C    25.3452  -30.4914
            2   C8y C    24.0991  -29.7993
            3   N2y N    26.5219  -29.7993 #+
            4   C1y C    25.3452  -31.8759
            5   C8y C    24.0991  -28.4148
            6   C8y C    22.9224  -30.4914
            7   C1x C    27.6988  -30.4222
            8   C1x C    26.5219  -28.4148
            9   C1a C    27.6984  -28.0703
            10  C8y C    26.5219  -32.4989
            11  C8x C    22.9224  -27.7226
            12  C1x C    25.2759  -27.7226
            13  C8y C    21.6764  -29.8684
            14  C8y C    27.6988  -31.8068
            15  C8x C    26.5219  -33.8834
            16  C8y C    21.6764  -28.4840
            17  O2x O    20.4303  -30.2838
            18  C8y C    28.9449  -32.4989
            19  C8x C    27.7680  -34.5756
            20  O2x O    20.3611  -28.0687
            21  C1x C    19.5997  -29.1762
            22  C8y C    28.9449  -33.8834
            23  O2a O    30.1216  -31.8068
            24  O2a O    30.1216  -34.5756
            25  C1a C    31.2984  -32.4989
            26  C1a C    31.3677  -33.8834
            27  O1a O    22.9224  -31.8759
            28  O7a O    24.2047  -32.6182
            29  C7a C    24.2047  -34.0028
            30  C1a C    23.0083  -34.6935
            31  O6a O    25.4009  -34.6935
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 #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

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