KEGG   COMPOUND: C16895
Entry
C16895                      Compound                               
Name
Plakinamine B
Formula
C31H50N2
Exact mass
450.3974
Mol weight
450.7421
Structure
Other DBs
CAS: 93474-14-7
PubChem: 96023397
ChEBI: 80785
NIKKAJI: J1.946.926C
LinkDB
KCF data

ATOM        33
            1   C1x C    17.3600  -33.3900
            2   C1y C    17.3600  -34.7200
            3   C1x C    18.5500  -35.4200
            4   C1y C    19.7400  -34.7200
            5   C1z C    19.7400  -33.3900
            6   C1x C    18.5500  -32.6900
            7   C1x C    20.9300  -35.4200
            8   C2x C    22.1200  -34.7200
            9   C2y C    22.1200  -33.3900
            10  C1y C    20.9300  -32.6900
            11  C1y C    23.2400  -32.6900
            12  C1z C    23.2400  -31.2900
            13  C1x C    22.1200  -30.5900
            14  C1x C    20.9300  -31.2900
            15  C1x C    25.6200  -32.6900
            16  C1x C    25.6200  -31.2900
            17  C1y C    24.4300  -30.5900
            18  N1b N    16.1700  -35.4200
            19  C1a C    19.7400  -31.9900
            20  C1a C    23.2400  -29.8900
            21  C1c C    24.4300  -29.2600
            22  C2b C    25.6200  -28.5600
            23  C1a C    23.2400  -28.5600
            24  C1a C    14.9100  -34.7200
            25  C2b C    26.8800  -29.2600
            26  C2y C    28.0700  -28.5600
            27  C2y C    28.0700  -27.1600
            28  C1x C    29.2600  -29.2600
            29  C1x C    30.5200  -28.5600
            30  N1y N    30.5200  -27.1600
            31  C1x C    29.2600  -26.4600
            32  C1a C    26.8547  -26.4649
            33  C1a C    31.7266  -26.4500
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Down
            22    5  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1
            25   21  22 1
            26   21  23 1 #Down
            27   18  24 1
            28   22  25 2
            29   25  26 1
            30   27  26 2
            31   26  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   27  31 1
            36   27  32 1
            37   30  33 1

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