KEGG   COMPOUND: C09323
Entry
C09323                      Compound                               
Name
Adiantifoline
Formula
C42H50N2O9
Exact mass
726.3516
Mol weight
726.8544
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09323  Adiantifoline
Other DBs
CAS: 20823-96-5
PubChem: 11514
ChEBI: 2487
KNApSAcK: C00001791
3DMET: B02862
NIKKAJI: J2.769.195A
LinkDB
KCF data

ATOM        53
            1   C8y C    23.6876  -14.8053
            2   C8y C    24.8973  -14.1040
            3   C8y C    23.6876  -16.2022
            4   C8y C    22.4662  -14.1040
            5   C8y C    24.9033  -12.7015
            6   C1y C    26.1071  -14.8113
            7   C8y C    24.8916  -16.8975
            8   C8x C    22.4838  -16.8918
            9   C8y C    22.4721  -12.7074
            10  O2a O    21.2507  -14.8053
            11  C8y C    23.6876  -12.0002
            12  C1x C    26.1245  -12.0061
            13  C1x C    26.1011  -16.2079
            14  N1y N    27.3226  -14.1157
            15  C8x C    24.8916  -18.2884
            16  C8y C    22.4838  -18.2825
            17  O2a O    21.2507  -12.0002
            18  C1a C    20.0468  -14.0983
            19  O2a O    23.6819  -10.6172
            20  C1x C    27.3285  -12.7132
            21  C1a C    28.5323  -14.8170
            22  C8y C    23.6819  -18.9838
            23  O2a O    21.2507  -18.9721
            24  C1a C    20.0410  -12.6957
            25  C1a C    22.4662   -9.9063
            26  O2a O    23.6759  -20.3806
            27  C1a C    20.0468  -18.2593
            28  C8y C    24.8916  -21.0819
            29  C8y C    26.1128  -20.3864
            30  C8x C    24.9499  -22.4902
            31  C1b C    26.1071  -18.9838
            32  C8x C    27.3168  -21.0936
            33  C8y C    26.0954  -23.1973
            34  C1y C    27.3109  -18.2767
            35  C8y C    27.3109  -22.5019
            36  O2a O    26.0896  -24.5941
            37  C8y C    28.5265  -18.9838
            38  N1y N    27.3109  -16.8741
            39  O2a O    28.5206  -23.2032
            40  C1a C    25.0902  -25.5816
            41  C8y C    29.7420  -18.2825
            42  C8x C    28.5265  -20.3864
            43  C1x C    28.5323  -16.1788
            44  C1a C    25.5354  -17.3654
            45  C1a C    28.5206  -24.5999
            46  C8x C    30.9576  -18.9897
            47  C1x C    29.7420  -16.8801
            48  C8y C    29.7420  -21.0876
            49  C8y C    30.9576  -20.3923
            50  O2a O    29.7362  -22.4785
            51  O2a O    32.1614  -21.0819
            52  C1a C    30.9459  -23.1856
            53  C1a C    33.3771  -20.3747
BOND        59
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   11  19 1
            19   12  20 1
            20   14  21 1
            21   15  22 2
            22   16  23 1
            23   17  24 1
            24   19  25 1
            25   22  26 1
            26   23  27 1
            27   26  28 1
            28   28  29 1
            29   28  30 2
            30   29  31 1
            31   29  32 2
            32   30  33 1
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 1
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   37  42 2
            42   38  43 1
            43   38  44 1
            44   39  45 1
            45   41  46 2
            46   41  47 1
            47   42  48 1
            48   46  49 1
            49   48  50 1
            50   49  51 1
            51   50  52 1
            52   51  53 1
            53    7  13 1
            54    9  11 1
            55   14  20 1
            56   16  22 1
            57   33  35 2
            58   43  47 1
            59   48  49 2

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