KEGG   COMPOUND: C07304Help
Entry
C07304                      Compound                               

Name
Deacetylisoipecoside
Formula
C25H33NO11
Exact mass
523.2054
Mol weight
523.5296
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C07304  Deacetylisoipecoside
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1y C    26.0786  -15.2383
            2   C8y C    24.8853  -14.5336
            3   N1x N    27.2836  -14.5453
            4   C8y C    24.8913  -13.1479
            5   C8x C    23.6979  -15.2324
            6   C1x C    27.2895  -13.1595
            7   C1x C    26.0902  -12.4606
            8   C8x C    23.6979  -12.4549
            9   C8y C    22.4859  -14.5336
            10  C8y C    22.4859  -13.1479
            11  O1a O    21.2809  -15.2266
            12  O1a O    21.2809  -12.4549
            13  C1y C    27.2758  -19.6635
            14  C1y C    27.2758  -18.3067
            15  C1y C    28.4470  -20.3504
            16  C2b C    26.1117  -20.3330
            17  C2y C    28.4470  -17.6315
            18  C1b C    26.0835  -17.6174
            19  O2a O    29.4127  -21.9041
            20  O2x O    29.6228  -19.6635
            21  C2a C    24.9533  -19.6518
            22  C2x C    29.6228  -18.3067
            23  C7a C    28.4413  -16.2853
            24  C1y C    27.6957  -22.7372
            25  O7a O    29.6052  -15.6097
            26  O6a O    27.2642  -15.6157
            27  O2x O    26.5246  -22.0616
            28  C1y C    27.6957  -24.0762
            29  C1a C    30.7636  -16.2853
            30  C1y C    25.3603  -22.7372
            31  C1y C    26.5246  -24.7576
            32  O1a O    28.8657  -24.7576
            33  C1y C    25.3603  -24.0762
            34  C1b C    24.2081  -22.0616
            35  O1a O    26.5246  -26.0966
            36  O1a O    24.2081  -24.7576
            37  O1a O    23.1708  -22.9297
BOND        40
            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

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