| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C42H40N6O4
|
|---|
| Exact mass |
692.3111
|
|---|
| Mol weight |
692.80
|
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| Structure |
|
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| Reaction |
|
|---|
| Pathway |
| map00997 | Biosynthesis of various other secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00891 | Ditryptophenaline biosynthesis, tryptophan + phenylalanine => ditryptophenaline |
|
|---|
| Enzyme |
1.-.-.-
|
|---|
| Brite |
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C22144
|
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| Other DBs |
|
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| LinkDB |
|
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| 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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