| Entry |
|
|---|
| Name |
Verruculogen;
TR 1;
TR 1 toxin
|
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| Formula |
C27H33N3O7
|
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| Exact mass |
511.2319
|
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| Mol weight |
511.5668
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00786 | Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A |
|
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| Enzyme |
|
|---|
| Brite |
Natural toxins [BR:br08009]
Fungal toxins
Mycotoxins
Others
C20045 Verruculogen
|
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| Other DBs |
|
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| KCF data |
ATOM 37
1 C8y C 18.1775 -15.8709
2 C8y C 18.1775 -14.4725
3 C1y C 19.3660 -13.7734
4 C1z C 20.6245 -14.4725
5 N1y N 20.6245 -15.8709
6 C1y C 19.3660 -16.5701
7 C5x C 21.8130 -13.7734
8 N1y N 23.0016 -14.4725
9 C1y C 23.0016 -15.8709
10 C5x C 21.8130 -16.5701
11 C1x C 24.3300 -14.0531
12 C1x C 25.1689 -15.1717
13 C1x C 24.3300 -16.2904
14 N4y N 16.8491 -16.2904
15 C8y C 16.0101 -15.1717
16 C8y C 16.8491 -14.0531
17 C8x C 14.6119 -15.0319
18 C8y C 14.0525 -13.7734
19 C8x C 14.8915 -12.5849
20 C8x C 16.2898 -12.7947
21 O2x O 17.6881 -19.5065
22 C1z C 19.0864 -19.1569
23 C1x C 19.7856 -17.9683
24 C1y C 16.1500 -17.4788
25 O2x O 16.4996 -18.8073
26 O5x O 21.8130 -17.9683
27 O1a O 19.3660 -12.3752
28 O1a O 20.6245 -13.0742
29 O5x O 21.8130 -12.3752
30 C1a C 20.4846 -19.1569
31 C1a C 19.7856 -20.3455
32 O2a O 12.7941 -13.3539
33 C1a C 12.0152 -12.0157
34 C2b C 14.7517 -17.2692
35 C2c C 13.9127 -18.3878
36 C1a C 12.5144 -18.1780
37 C1a C 14.4720 -19.6463
BOND 42
1 1 2 2
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 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 1 14 1
17 14 15 1
18 15 16 1
19 2 16 1
20 15 17 2
21 17 18 1
22 18 19 2
23 19 20 1
24 16 20 2
25 21 22 1
26 22 23 1
27 14 24 1
28 24 25 1
29 25 21 1
30 10 26 2
31 3 27 1 #Down
32 4 28 1 #Down
33 7 29 2
34 22 30 1
35 22 31 1
36 18 32 1
37 32 33 1
38 34 35 2
39 35 36 1
40 35 37 1
41 24 34 1 #Down
42 23 6 1
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