KEGG   COMPOUND: C22144
Entry
C22144                      Compound                               
Name
(-)-Ditryptophenaline
Formula
C42H40N6O4
Exact mass
692.3111
Mol weight
692.8048
Structure
Reaction
Pathway
map00997  Biosynthesis of various other secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00891  Ditryptophenaline biosynthesis, tryptophan + phenylalanine => ditryptophenaline
Enzyme
1.-.-.-
Other DBs
CAS: 64947-43-9
PubChem: 405226335
KCF data

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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