KEGG   COMPOUND: C09254Help
Entry
C09254                      Compound                               

Name
Vobtusine
Formula
C43H50N4O6
Exact mass
718.373
Mol weight
718.8803
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
19772-79-3
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        53
            1   C1z C    28.5841  -22.6982
            2   C1y C    28.5610  -21.3207
            3   C2y C    29.7779  -23.3619
            4   C8y C    27.4316  -24.7511
            5   C1x C    27.1772  -22.9068
            6   N1y N    27.2788  -20.6536
            7   C2y C    30.9588  -22.6536
            8   N1x N    29.7243  -24.7278
            9   C8y C    28.6225  -25.4199
            10  C8x C    26.2620  -25.4511
            11  C1x C    26.6138  -21.7938
            12  C1x C    30.9505  -21.2855
            13  C1x C    27.3280  -19.2718
            14  C8x C    28.6441  -26.7885
            15  C8x C    26.2819  -26.7989
            16  C1z C    28.5140  -18.5544
            17  C8x C    27.4728  -27.4675
            18  C1z C    28.5040  -14.4408
            19  C1y C    29.6941  -13.7462
            20  C8y C    26.1498  -14.4408
            21  C1x C    27.6336  -13.3163
            22  N1y N    29.6824  -12.3628
            23  C8y C    26.1498  -15.8067
            24  C8x C    24.9668  -13.7636
            25  C1x C    28.3282  -12.2802
            26  C1x C    30.8945  -15.8126
            27  C1x C    30.8769  -11.6682
            28  C8x C    24.9668  -16.4956
            29  C8x C    23.8014  -14.4408
            30  C1x C    32.0832  -12.3511
            31  C8y C    23.8014  -15.8067
            32  O2a O    22.6301  -16.4780
            33  C1a C    21.4646  -15.7951
            34  C1y C    29.7058  -16.4897
            35  C1z C    28.5130  -15.8017
            36  N1y N    27.3209  -16.4905
            37  C1x C    27.3214  -17.8674
            38  C1x C    29.7061  -17.8666
            39  C1y C    29.7176  -19.2367
            40  C1z C    29.7399  -20.6244
            41  C1x C    31.0666  -21.0320
            42  C1x C    31.8639  -19.8961
            43  O2x O    31.0303  -18.7867
            44  C1y C    32.0774  -13.7346
            45  C1z C    30.8772  -14.4332
            46  C1x C    31.1708  -15.7905
            47  C1x C    32.5524  -15.9305
            48  O2x O    33.1127  -14.6601
            49  C7a C    32.1573  -23.3447
            50  O7a O    33.3609  -22.6479
            51  C1a C    34.5644  -23.3447
            52  O6a O    32.1502  -24.7383
            53  O1a O    28.7844  -17.1931
BOND        65
            1    39  16 1
            2    18  19 1
            3    18  35 1
            4    18  20 1
            5    18  21 1 #Up
            6    19  45 1
            7    19  22 1
            8    20  23 2
            9    20  24 1
            10   21  25 1
            11   45  26 1
            12   22  27 1
            13   23  28 1
            14   24  29 2
            15   44  30 1
            16   28  31 2
            17   31  32 1
            18   32  33 1
            19   22  25 1
            20   34  26 1
            21   36  23 1
            22   27  30 1
            23   29  31 1
            24   14  17 2
            25    6  11 1
            26    7  12 1
            27    8   9 1
            28   13  16 1
            29   34  35 1
            30   35  36 1
            31   36  37 1
            32   16  37 1 #Up
            33   16  38 1 #Down
            34   38  34 1
            35   15  17 1
            36    1   2 1
            37    1   3 1
            38   39  40 1
            39   40  41 1 #Down
            40   41  42 1
            41   42  43 1
            42   43  39 1
            43    1   4 1
            44    1   5 1 #Up
            45    2  40 1
            46    2   6 1
            47    3   7 2
            48   44  45 1
            49   45  46 1 #Down
            50   46  47 1
            51   47  48 1
            52   48  44 1
            53    3   8 1
            54    7  49 1
            55    4   9 2
            56   49  50 1
            57    4  10 1
            58   50  51 1
            59    5  11 1
            60   49  52 2
            61   40  12 1
            62    6  13 1
            63    9  14 1
            64   35  53 1 #Up
            65   10  15 2

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