KEGG   COMPOUND: C10170
Entry
C10170                      Compound                               
Name
Santiaguine
Formula
C38H48N4O2
Exact mass
592.3777
Mol weight
592.8133
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from lysine
   Piperidine alkaloids
    C10170  Santiaguine
Other DBs
CAS: 528-31-4
PubChem: 12356
ChEBI: 114
KNApSAcK: C00002071
3DMET: B03603
NIKKAJI: J11.875C
LinkDB
KCF data

ATOM        44
            1   C1y C    27.3760  -18.3794
            2   C1y C    27.3760  -16.9757
            3   C1y C    25.9722  -18.3794
            4   C8y C    28.5934  -19.0725
            5   C1y C    25.9722  -16.9757
            6   C5a C    28.5877  -16.2824
            7   C5a C    24.7724  -19.0725
            8   C8x C    29.8108  -18.3678
            9   C8x C    28.5934  -20.4764
            10  C8y C    24.7724  -16.2708
            11  N1y N    28.5818  -14.8903
            12  O5a O    29.8051  -16.9698
            13  N1y N    24.7724  -20.4705
            14  O5a O    23.5607  -18.3619
            15  C8x C    31.0283  -19.0784
            16  C8x C    29.8051  -21.1871
            17  C8x C    23.5607  -16.9698
            18  C8x C    24.7724  -14.8728
            19  C2x C    29.7934  -14.1913
            20  C1x C    27.3702  -14.1854
            21  C2x C    23.5607  -21.1695
            22  C1x C    25.9839  -21.1579
            23  C8x C    31.0225  -20.4822
            24  C8x C    22.3492  -16.2767
            25  C8x C    23.5550  -14.1738
            26  C2y C    29.7992  -12.7874
            27  C1x C    27.3702  -12.7874
            28  C2y C    23.5666  -22.5792
            29  C1x C    25.9956  -22.5558
            30  C8x C    22.3492  -14.8787
            31  C1y C    31.0109  -12.1003
            32  C1x C    28.5818  -12.0886
            33  C1y C    22.3666  -23.2782
            34  C1x C    24.7898  -23.2665
            35  C1x C    31.0109  -10.7004
            36  N1x N    32.2166  -12.7933
            37  C1x C    22.3725  -24.6762
            38  N1x N    21.1492  -22.5851
            39  C1x C    32.2166  -10.0058
            40  C1x C    33.4340  -12.1003
            41  C1x C    21.1608  -25.3868
            42  C1x C    19.9377  -23.2898
            43  C1x C    33.4340  -10.7004
            44  C1x C    19.9434  -24.6878
BOND        50
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    7  14 2
            14    8  15 1
            15    9  16 2
            16   10  17 2
            17   10  18 1
            18   11  19 1
            19   11  20 1
            20   13  21 1
            21   13  22 1
            22   15  23 2
            23   17  24 1
            24   18  25 2
            25   19  26 2
            26   20  27 1
            27   21  28 2
            28   22  29 1
            29   24  30 2
            30   26  31 1
            31   26  32 1
            32   28  33 1
            33   28  34 1
            34   31  35 1
            35   31  36 1
            36   33  37 1
            37   33  38 1
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   41  44 1
            44    3   5 1
            45   16  23 1
            46   25  30 1
            47   27  32 1
            48   29  34 1
            49   40  43 1
            50   42  44 1

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