KEGG   COMPOUND: C22144Help
Entry
C22144                      Compound                               

Name
(-)-Ditryptophenaline
Formula
C42H40N6O4
Exact mass
692.3111
Mol weight
692.8048
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01110  Biosynthesis of secondary metabolites
Enzyme
1.-.-.-
Other DBs
CAS: 64947-43-9
ChEMBL: CHEMBL1457214 CHEMBL501675
KCF data Show

ATOM        52
            1   N1y N    22.0500  -18.6900
            2   C1y C    22.0500  -17.3600
            3   C5x C    23.2400  -19.3900
            4   C5x C    23.1700  -16.6600
            5   O5x O    23.2400  -20.7200
            6   O5x O    23.1700  -15.3300
            7   C1x C    20.7851  -16.9490
            8   C1z C    20.0033  -18.0250
            9   C1y C    20.7851  -19.1010
            10  C8y C    18.7384  -18.4360
            11  C8y C    18.7384  -19.7660
            12  N1x N    20.0033  -20.1770
            13  C8x C    17.5260  -17.7360
            14  C8x C    16.3135  -18.4360
            15  C8x C    16.3135  -19.7660
            16  C8x C    17.5260  -20.4660
            17  C1y C    24.4552  -18.7163
            18  N1y N    24.4062  -17.3171
            19  C1b C    25.6914  -19.3734
            20  C8y C    26.9272  -18.5877
            21  C8x C    26.9216  -17.1877
            22  C1a C    25.5934  -16.5751
            23  C8x C    28.1425  -19.2828
            24  C8x C    29.3521  -18.5779
            25  C8x C    29.3464  -17.1779
            26  C8x C    28.1311  -16.4828
            27  C8x C     8.5681  -13.4570
            28  C8x C     7.8950  -14.6846
            29  C8x C     8.6020  -15.8705
            30  C8y C    10.0433  -15.8624
            31  C8x C    10.7164  -14.6348
            32  C8x C     9.9480  -13.4153
            33  C1b C    10.7503  -16.9783
            34  C1y C    12.1917  -17.0402
            35  N1y N    12.8986  -18.2261
            36  C5x C    14.2786  -18.1844
            37  C1y C    14.9516  -16.9568
            38  N1y N    14.2447  -15.7709
            39  C5x C    12.8647  -15.8126
            40  O5x O    12.0964  -14.5931
            41  O5x O    14.9242  -19.3366
            42  C1z C    16.4581  -15.2282
            43  C1y C    15.1632  -14.6779
            44  C1a C    12.2256  -19.4537
            45  C8y C    17.3499  -14.1442
            46  C8y C    16.6560  -12.9203
            47  N1x N    15.2864  -13.2763
            48  C8x C    18.7499  -14.1552
            49  C8x C    19.4593  -12.9482
            50  C8x C    18.7654  -11.7243
            51  C8x C    17.3654  -11.7133
            52  C1x C    16.3349  -16.6298
BOND        61
            1     1   3 1
            2     3   5 2
            3     4   6 2
            4     4   2 1
            5     2   7 1
            6     8   9 1
            7     1   9 1
            8     8  10 1
            9    10  11 1
            10   11  12 1
            11    9  12 1
            12   10  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   11  16 2
            17    2   1 1
            18    3  17 1
            19    4  18 1
            20   18  17 1
            21   17  19 1
            22   19  20 1
            23   20  21 1
            24   18  22 1
            25   20  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   21  26 2
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   27  32 1
            36   30  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   34  39 1
            44   39  40 2
            45   36  41 2
            46   38  43 1
            47   35  44 1
            48   42  45 1
            49   45  46 1
            50   46  47 1
            51   43  47 1
            52   45  48 2
            53   48  49 1
            54   49  50 2
            55   50  51 1
            56   46  51 2
            57   37  52 1
            58    8  42 1
            59   42  43 1
            60   42  52 1 #Down
            61    8   7 1 #Down

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