KEGG   COMPOUND: C08702
Entry
C08702                      Compound                               
Name
Nudicauline
Formula
C38H50N2O11
Exact mass
710.3415
Mol weight
710.8104
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Terpenoid alkaloids
    C08702  Nudicauline
Other DBs
CAS: 99815-83-5
PubChem: 10895
ChEBI: 7657
KNApSAcK: C00001658
3DMET: B02341
NIKKAJI: J492.838E
LinkDB
KCF data

ATOM        51
            1   C1z C    26.4548  -15.8196
            2   C1y C    26.4548  -17.1713
            3   C1y C    26.4431  -14.4856
            4   C1y C    27.4203  -15.0474
            5   C1y C    25.3022  -15.1585
            6   C1z C    25.3022  -17.8325
            7   C1y C    27.4669  -17.9671
            8   C1z C    28.7249  -17.6628
            9   N1y N    24.8165  -16.5803
            10  C1y C    28.6606  -15.3340
            11  C1x C    27.4490  -13.7835
            12  C1x C    24.1378  -15.8196
            13  O2a O    25.3022  -13.8128
            14  C1x C    24.8221  -18.9909
            15  C1x C    24.1378  -17.1655
            16  C1b C    25.8170  -18.9909
            17  O2a O    27.1744  -19.2717
            18  C1z C    29.2574  -16.4340
            19  O1a O    29.7313  -18.5462
            20  C1b C    23.6054  -15.8782
            21  C1y C    29.3102  -14.2458
            22  C1y C    28.4675  -13.2921
            23  C1a C    24.0036  -13.1458
            24  O7a O    25.8112  -20.3309
            25  C1a C    28.4491  -20.1729
            26  C1x C    30.8256  -15.7144
            27  O1a O    30.2403  -17.4229
            28  C1a C    22.3942  -16.5803
            29  O7a O    31.5803  -13.1107
            30  C1y C    29.7313  -13.2861
            31  C7a C    24.7755  -20.9217
            32  C7a C    32.6744  -13.7368
            33  O2a O    30.5329  -12.2097
            34  C8y C    24.7697  -22.1212
            35  O6a O    23.8099  -20.3192
            36  C1a C    33.7627  -13.0932
            37  O6a O    32.6686  -14.9889
            38  C1a C    29.8604  -10.8468
            39  C8y C    23.7340  -22.7064
            40  C8x C    25.7936  -22.7181
            41  N1y N    22.7042  -22.1037
            42  C8x C    23.7223  -23.8941
            43  C8x C    25.7878  -23.9116
            44  C5x C    22.3591  -20.9511
            45  C5x C    21.7213  -22.7766
            46  C8x C    24.7521  -24.5084
            47  C1x C    21.1713  -20.9334
            48  O5x O    22.8104  -19.8573
            49  C1y C    20.7734  -22.0569
            50  O5x O    21.6921  -23.9702
            51  C1a C    19.6150  -22.3553
BOND        58
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     8   3 1 #Down
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    5  13 1 #Down
            13    6  14 1 #Down
            14    6  15 1
            15    6  16 1 #Up
            16    7  17 1 #Up
            17    8  18 1
            18    8  19 1
            19    9  20 1
            20   10  21 1
            21   11  22 1
            22   13  23 1
            23   16  24 1
            24   17  25 1
            25   18  26 1
            26   18  27 1 #Up
            27   20  28 1
            28   21  29 1 #Down
            29   22  30 1
            30   24  31 1
            31   29  32 1
            32   30  33 1 #Up
            33   31  34 1
            34   31  35 2
            35   32  36 1
            36   32  37 2
            37   33  38 1
            38   34  39 2
            39   34  40 1
            40   39  41 1
            41   39  42 1
            42   40  43 2
            43   41  44 1
            44   41  45 1
            45   42  46 2
            46   44  47 1
            47   44  48 2
            48   45  49 1
            49   45  50 2
            50   49  51 1 #Up
            51    7   8 1
            52    9  14 1
            53   10  18 1
            54   12  15 1
            55   21  22 1
            56   26  30 1
            57   43  46 1
            58   47  49 1

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