| Entry |
|
|---|
| Name |
4'-O-Demethylrebeccamycin
|
|---|
| Formula |
C26H19Cl2N3O7
|
|---|
| Exact mass |
555.06
|
|---|
| Mol weight |
556.351
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00789 | Rebeccamycin biosynthesis, tryptophan => rebeccamycin |
|
|---|
| Enzyme |
|
|---|
| Brite |
Glycosides [BR:br08021]
N-glycosides
C19700 4'-O-Demethylrebeccamycin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C1y C 19.7400 -22.2600
2 C1y C 19.7400 -23.6600
3 C1y C 20.9524 -24.3600
4 C1y C 22.1649 -23.6600
5 C1y C 22.1649 -22.2600
6 O2x O 20.9524 -21.5600
7 O1a O 20.9524 -25.7598
8 C1b C 18.5276 -21.5600
9 O1a O 23.3960 -24.3710
10 O1a O 18.5276 -24.3600
11 C8y C 20.1729 -16.3252
12 C8y C 21.5743 -16.3252
13 C5x C 22.0074 -14.9924
14 N1x N 20.8736 -14.1687
15 C5x C 19.7399 -14.9924
16 C8y C 19.3495 -17.4585
17 C8y C 22.3980 -17.4590
18 C8y C 18.0065 -17.8587
19 C8y C 17.9721 -19.2596
20 N4x N 19.2939 -19.7254
21 C8y C 20.1452 -18.6121
22 C8y C 21.5768 -18.5936
23 N4y N 22.4043 -19.7247
24 C8y C 23.7355 -19.2873
25 C8y C 23.7310 -17.8859
26 C8x C 16.8105 -17.1284
27 C8x C 15.5099 -17.7991
28 C8x C 15.5456 -19.2001
29 C8y C 16.7416 -19.9304
30 C8y C 24.9514 -19.9841
31 C8x C 26.1628 -19.2795
32 C8x C 26.1583 -17.8781
33 C8x C 24.9424 -17.1813
34 O5x O 18.4190 -14.5632
35 O5x O 23.3283 -14.5632
36 X Cl 16.7079 -21.2998
37 X Cl 24.8857 -21.3701
38 O1a O 17.3321 -22.2504
BOND 44
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1 #Up
8 1 8 1 #Up
9 4 9 1 #Down
10 2 10 1 #Down
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 1
15 11 15 1
16 11 16 1
17 12 17 1
18 16 18 1
19 18 19 2
20 19 20 1
21 20 21 1
22 16 21 2
23 17 22 2
24 22 23 1
25 23 24 1
26 24 25 2
27 17 25 1
28 18 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 19 29 1
33 24 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 25 33 1
38 15 34 2
39 13 35 2
40 29 36 1
41 30 37 1
42 21 22 1
43 5 23 1 #Up
44 8 38 1
|
|---|
