KEGG   COMPOUND: C12183Help
Entry
C12183                      Compound                               

Name
Obliquine
Formula
C26H28N2O5
Exact mass
448.1998
Mol weight
448.5109
Structure
Mol fileKCF fileDB searchJmolKegDraw
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KCF data Show

ATOM        33
            1   C1y C    28.3286  -17.9035
            2   C2x C    25.9626  -17.9559
            3   C8x C    24.7736  -18.6903
            4   C5x C    29.8382  -19.3490
            5   N1y N    29.8090  -17.9386
            6   C1x C    28.3695  -16.4931
            7   C2x C    25.9393  -16.5514
            8   C8x C    24.8436  -21.4761
            9   C8y C    23.5906  -19.4130
            10  C1a C    31.0097  -17.1283
            11  C1y C    27.1457  -15.8228
            12  C8y C    23.6196  -20.7941
            13  O2x O    22.2734  -19.0166
            14  O2a O    27.0932  -14.4124
            15  O2x O    22.3142  -21.2545
            16  C1x C    21.4867  -20.1531
            17  C1a C    28.2762  -13.6723
            18  C8y C    25.9958  -19.3597
            19  C8y C    25.9567  -20.7534
            20  C1x C    27.2490  -21.4234
            21  N1y N    28.4403  -20.7000
            22  C1y C    28.4096  -19.3063
            23  C1z C    27.1873  -18.6364
            24  C1b C    29.6630  -21.3703
            25  C1b C    29.6939  -22.7643
            26  C8y C    30.9165  -23.4346
            27  C8x C    30.9422  -24.8237
            28  C8x C    32.1649  -25.4940
            29  C8y C    33.2867  -24.7703
            30  C8x C    33.3258  -23.3763
            31  C8x C    32.1032  -22.7060
            32  O1a O    34.5794  -25.4406
            33  O5x O    30.8437  -20.2450
BOND        38
            1    13  16 1
            2    14  17 1
            3     4   5 1
            4     7  11 1
            5     9  12 1
            6    15  16 1
            7    23   1 1
            8    23   2 1
            9    18   3 1
            10   22   4 1
            11    1   5 1
            12   18  19 2
            13   19  20 1
            14   20  21 1
            15   21  22 1
            16   22  23 1
            17   23  18 1 #Up
            18    1   6 1
            19   21  24 1
            20    2   7 2
            21   24  25 1
            22   19   8 1
            23   25  26 1
            24    3   9 2
            25    5  10 1
            26    6  11 1
            27    8  12 2
            28    9  13 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  26 1
            35   11  14 1 #Up
            36   29  32 1
            37   12  15 1
            38    4  33 2

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