| | COMPOUND: C17707 | |
Entry |
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Name |
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Formula |
C29H55N5O18
|
Exact mass |
761.3542
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Mol weight |
761.7697
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Structure |
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Pathway |
map00524 | Neomycin, kanamycin and gentamicin biosynthesis |
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Other DBs |
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KCF data |
ATOM 52
1 C1y C 23.2892 -19.6497
2 C1y C 23.2892 -21.0530
3 C1y C 24.4820 -21.7546
4 C1y C 25.6748 -21.0530
5 C1y C 25.6748 -19.6497
6 O2x O 24.4820 -18.9480
7 O2a O 26.8676 -18.9480
8 C1y C 29.1129 -17.8254
9 C1y C 29.5339 -16.4922
10 O2x O 28.4112 -15.6503
11 C1y C 27.2886 -16.4922
12 C1y C 27.7096 -17.8254
13 O2a O 31.0775 -16.0713
14 O1a O 31.4283 -18.8779
15 C1y C 32.6211 -18.1762
16 C1y C 33.8139 -18.8077
17 C1x C 35.0067 -18.1060
18 C1y C 35.0067 -16.7027
19 C1y C 33.8139 -16.0713
20 C1y C 32.6211 -16.7729
21 N1a N 33.8139 -20.2110
22 N1a N 36.1995 -16.0011
23 O2a O 33.8139 -14.6680
24 C1y C 35.0067 -13.9663
25 O2x O 36.1995 -14.6680
26 C1y C 37.4625 -13.9663
27 C1y C 37.4625 -12.5630
28 C1x C 36.1995 -11.8614
29 C1y C 35.0067 -12.5630
30 C1b C 38.5852 -14.5978
31 O1a O 38.6553 -16.0011
32 N1a N 33.8139 -11.8614
33 O1a O 38.5852 -11.8614
34 C1b C 25.9555 -16.0713
35 O1a O 29.8847 -18.9480
36 O1a O 24.9030 -16.9834
37 C1b C 22.0964 -18.9480
38 O2a O 22.0964 -21.7546
39 N1a N 26.8676 -21.7546
40 O1a O 24.4820 -23.0878
41 N1a N 20.8334 -19.6497
42 C1y C 18.4478 -22.4563
43 C1y C 18.4478 -23.8596
44 C1y C 19.6406 -24.5612
45 C1y C 20.9036 -23.8596
46 C1y C 20.9036 -22.4563
47 O2x O 19.6406 -21.7546
48 O1a O 22.0964 -24.5612
49 O1a O 17.2550 -24.5612
50 O1a O 19.6406 -25.9645
51 C1b C 17.2550 -21.7546
52 O1a O 16.0622 -22.4563
BOND 56
1 19 23 1 #Down
2 20 13 1 #Up
3 10 11 1
4 24 23 1 #Down
5 11 12 1
6 12 8 1
7 5 6 1
8 9 13 1 #Up
9 6 1 1
10 24 25 1
11 25 26 1
12 26 27 1
13 27 28 1
14 28 29 1
15 29 24 1
16 26 30 1 #Up
17 15 14 1 #Down
18 30 31 1
19 5 7 1 #Down
20 29 32 1 #Down
21 1 2 1
22 27 33 1 #Down
23 2 3 1
24 11 34 1 #Up
25 12 7 1 #Down
26 3 4 1
27 8 35 1 #Down
28 15 16 1
29 34 36 1
30 16 17 1
31 1 37 1 #Down
32 17 18 1
33 2 38 1 #Down
34 18 19 1
35 4 39 1 #Down
36 19 20 1
37 3 40 1 #Up
38 20 15 1
39 37 41 1
40 4 5 1
41 16 21 1 #Up
42 8 9 1
43 18 22 1 #Up
44 9 10 1
45 42 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 46 47 1
50 42 47 1
51 46 38 1 #Down
52 45 48 1 #Up
53 43 49 1 #Down
54 44 50 1 #Up
55 42 51 1 #Up
56 51 52 1
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