KEGG   COMPOUND: C21566
Entry
C21566                      Compound                               
Name
6-O-Methyldeacetylisoipecoside;
6-O-Methyl-N-deacetylisoipecoside
Formula
C26H35NO11
Exact mass
537.221
Mol weight
537.5562
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.-         3.2.1.-
Other DBs
PubChem: 340125641
ChEBI: 176954
LinkDB
KCF data

ATOM        38
            1   C1y C    18.7311  -12.1612
            2   C8y C    17.5429  -11.4623
            3   N1x N    19.9192  -11.4623
            4   C8y C    17.5429  -10.0644
            5   C8x C    16.3547  -12.1612
            6   C1x C    19.9192  -10.0644
            7   C1x C    18.7311   -9.3655
            8   C8x C    16.3547   -9.3655
            9   C8y C    15.0967  -11.4623
            10  C8y C    15.0967  -10.0644
            11  O1a O    13.9085  -12.1612
            12  O2a O    13.9085   -9.3655
            13  C1y C    19.9192  -16.5644
            14  C1y C    19.9192  -15.2365
            15  C1y C    21.0375  -17.2633
            16  C2b C    18.7311  -17.1934
            17  C2y C    21.0375  -14.5375
            18  C1b C    18.7311  -14.5375
            19  O2a O    22.0160  -18.8009
            20  O2x O    22.2257  -16.5644
            21  C2a C    17.5429  -16.5644
            22  C2x C    22.2257  -15.2365
            23  C7a C    21.0375  -13.2096
            24  C1y C    20.3386  -19.6397
            25  O7a O    22.2257  -12.5107
            26  O6a O    19.8493  -12.5107
            27  O2x O    19.1504  -18.9407
            28  C1y C    20.3386  -20.9676
            29  C1a C    23.3439  -13.2096
            30  C1y C    17.9622  -19.6397
            31  C1y C    19.1504  -21.6665
            32  O1a O    21.4568  -21.6665
            33  C1y C    17.9622  -20.9676
            34  C1b C    16.8440  -18.9407
            35  O1a O    19.1504  -22.9945
            36  O1a O    16.8440  -21.6665
            37  O1a O    15.7956  -19.8493
            38  C1a C    12.6961  -10.0655
BOND        41
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     8  10 2
            10    9  11 1
            11   10  12 1
            12    6   7 1
            13    9  10 1
            14   13  14 1
            15   13  15 1
            16   13  16 1
            17   14  17 1
            18   14  18 1
            19   15  19 1 #Up
            20   15  20 1
            21   16  21 2
            22   17  22 2
            23   17  23 1
            24   24  19 1 #Up
            25   23  25 1
            26   23  26 2
            27   24  27 1
            28   24  28 1
            29   25  29 1
            30   27  30 1
            31   28  31 1
            32   28  32 1 #Down
            33   30  33 1
            34   30  34 1 #Up
            35   31  35 1 #Up
            36   33  36 1 #Down
            37   34  37 1
            38   20  22 1
            39   31  33 1
            40   18   1 1
            41   12  38 1

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