KEGG   COMPOUND: C21589Help
Entry
C21589                      Compound                               

Name
(13S,14R)-1,8-Dihydroxy-13-O-acetyl-N-methylcanadine
Formula
C23H26NO8
Exact mass
444.1658
Mol weight
444.4544
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 340125649
ChEBI: 141642
KCF data Show

ATOM        32
            1   C1y C    18.5307  -15.4655
            2   C8y C    17.2767  -14.7689
            3   N2y N    19.7149  -14.7689 #+
            4   C1y C    18.5307  -16.9284
            5   C8y C    17.2767  -13.3756
            6   C8y C    16.0925  -15.4655
            7   C1y C    20.8992  -15.3958
            8   C1x C    19.7149  -13.3756
            9   C1a C    21.0402  -13.5839
            10  C8y C    19.7149  -17.5554
            11  C8x C    16.0925  -12.6790
            12  C1x C    18.4610  -12.6790
            13  C8y C    14.7689  -14.7685
            14  C8y C    20.8992  -16.8588
            15  C8x C    19.7146  -18.9487
            16  C8y C    14.7689  -13.4453
            17  O2x O    13.5149  -15.2565
            18  C8y C    22.1531  -17.5554
            19  C8x C    20.9689  -19.6453
            20  O2x O    13.4453  -13.0273
            21  C1x C    12.6790  -14.1419
            22  C8y C    22.1531  -18.9487
            23  O2a O    23.3374  -16.8588
            24  O2a O    23.3374  -19.6453
            25  C1a C    24.5217  -17.5554
            26  C1a C    24.5913  -18.9487
            27  O1a O    16.0925  -16.9284
            28  O7a O    17.2767  -17.6251
            29  C7a C    17.2764  -19.0183
            30  C1a C    16.1621  -19.7149
            31  O6a O    18.5307  -19.7149
            32  O1a O    22.1116  -14.6958
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
            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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