KEGG   COMPOUND: C15654Help
Entry
C15654                      Compound                               

Name
Kni 102
Formula
C31H41N5O7
Exact mass
595.3006
Mol weight
595.6865
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 139694-65-8
PubChem: 17396643
ChEBI: 80005
ChEMBL: CHEMBL3349847
NIKKAJI: J454.786A
KCF data Show

ATOM        43
            1   N1y N    28.4841  -19.8624
            2   C5a C    27.2707  -19.1567
            3   C1c C    26.0575  -19.8566
            4   C1c C    24.8441  -19.1509
            5   O1a O    26.0516  -21.2566
            6   C1b C    24.8500  -17.7450
            7   N1b N    23.6309  -19.8450
            8   C8y C    26.0632  -17.0393
            9   C5a C    22.4292  -19.1450
            10  C8x C    27.2766  -16.3393
            11  C8x C    24.8441  -16.3510
            12  C1c C    21.2160  -19.8333
            13  O5a O    22.4292  -17.7393
            14  C8x C    27.2707  -14.9336
            15  C8x C    24.8384  -14.9451
            16  N1b N    20.0028  -19.1333
            17  C1b C    21.2101  -21.2333
            18  C8x C    26.0458  -14.2336
            19  C7a C    18.7894  -19.8275
            20  C5a C    22.4234  -21.9449
            21  O7a O    17.5819  -19.1333
            22  O6a O    18.7894  -21.2273
            23  N1a N    22.4234  -23.3449
            24  O5a O    23.6366  -21.2507
            25  O5a O    27.2736  -17.7802
            26  C1x C    28.6277  -21.2732
            27  C1x C    30.0139  -21.5725
            28  C1x C    30.7270  -20.3467
            29  C1y C    29.7815  -19.2898
            30  C5a C    30.0687  -17.9568
            31  N1b N    31.4193  -17.5215
            32  O5a O    29.0644  -17.0479
            33  C1d C    32.4526  -18.4562
            34  C1a C    33.4425  -17.4663
            35  C1a C    31.4626  -19.4462
            36  C1a C    33.4681  -19.4718
            37  C1b C    16.3700  -19.8311
            38  C8y C    15.1569  -19.1288
            39  C8x C    15.1582  -17.7104
            40  C8x C    13.9464  -17.0093
            41  C8x C    12.7333  -17.7082
            42  C8x C    12.7321  -19.1266
            43  C8x C    13.9439  -19.8277
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Up
            5     4   6 1 #Up
            6     4   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12    9  13 2
            13   10  14 2
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   14  18 1
            18   16  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 2
            22   20  23 1
            23   20  24 2
            24   15  18 2
            25    2  25 2
            26    1  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30    1  29 1
            31   29  30 1 #Down
            32   30  31 1
            33   30  32 2
            34   31  33 1
            35   33  34 1
            36   33  35 1
            37   33  36 1
            38   21  37 1
            39   37  38 1
            40   38  39 2
            41   39  40 1
            42   40  41 2
            43   41  42 1
            44   42  43 2
            45   38  43 1

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