| Entry |
|
|---|
| Name |
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate;
Dichlorochromopyrrolate
|
|---|
| Formula |
C22H13Cl2N3O4
|
|---|
| Exact mass |
453.0283
|
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| Mol weight |
454.26
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00789 | Rebeccamycin biosynthesis, tryptophan => rebeccamycin |
|
|---|
| Enzyme |
|
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| Other DBs |
|
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| KCF data |
ATOM 31
1 C8y C 20.1882 -16.7579
2 C8y C 21.5906 -16.7579
3 C8y C 22.0240 -15.4241
4 N4x N 20.8894 -14.5997
5 C8y C 19.7548 -15.4241
6 C8y C 19.3641 -17.8920
7 C8y C 22.4149 -17.8925
8 C8y C 18.0201 -18.2925
9 C8y C 17.9857 -19.6945
10 N4x N 19.3085 -20.1606
11 C8x C 20.1604 -19.0465
12 C8x C 21.5931 -19.0280
13 N4x N 22.4212 -20.1599
14 C8y C 23.7535 -19.7222
15 C8y C 23.7490 -18.3197
16 C8x C 16.8232 -17.5617
17 C8x C 15.5917 -18.2329
18 C8x C 15.5574 -19.6349
19 C8y C 16.7543 -20.3658
20 C8y C 24.9703 -20.4195
21 C8x C 26.1826 -19.7144
22 C8x C 26.1781 -18.3119
23 C8x C 24.9613 -17.6146
24 C6a C 18.4329 -14.9945
25 C6a C 23.3459 -14.9945
26 O6a O 17.3868 -15.9364
27 O6a O 18.1436 -13.6331
28 O6a O 24.3920 -15.9364
29 O6a O 23.6353 -13.6331
30 X Cl 16.7205 -21.7362
31 X Cl 24.9746 -21.8066
BOND 35
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 1 6 1
7 2 7 1
8 6 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 6 11 2
13 7 12 2
14 12 13 1
15 13 14 1
16 14 15 2
17 7 15 1
18 8 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 9 19 1
23 14 20 1
24 20 21 2
25 21 22 1
26 22 23 2
27 15 23 1
28 5 24 1
29 3 25 1
30 24 26 1
31 24 27 2
32 25 28 1
33 25 29 2
34 19 30 1
35 20 31 1
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