Entry |
|
Name |
Doramectin (JAN/USAN/INN) |
Formula |
C50H74O14
|
Exact mass |
898.5079
|
Mol weight |
899.11
|
Structure |

|
Simcomp |
|
Efficacy |
Antiparasitic (veterinary) |
Comment |
Avermectin derivative
veterinary medicine
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 64
1 C1z C 36.4207 -14.1306
2 C1x C 36.4207 -15.5237
3 O2x O 35.2377 -13.4437
4 O2x O 37.6153 -14.8301
5 C2x C 36.4207 -12.7571
6 C1y C 35.2121 -16.2105
7 C1y C 34.0293 -14.1247
8 C1y C 38.8809 -14.1434
9 C2x C 37.6153 -12.0702
10 C1x C 34.0165 -15.4981
11 O7x O 35.1924 -17.5841
12 C1x C 32.8333 -13.4251
13 C1y C 38.8237 -12.7571
14 C1y C 40.0194 -14.8301
15 C7x C 33.9839 -18.2523
16 C2x C 31.6249 -14.1119
17 C1a C 40.0194 -12.0702
18 C1x C 41.2153 -14.1434
19 C1x C 40.0194 -16.2233
20 C1y C 33.9839 -19.6258
21 C2y C 30.4292 -13.4251
22 C1z C 32.8207 -20.2999
23 C2x C 35.1669 -20.3126
24 C1y C 29.2335 -14.1119
25 C1a C 30.4292 -12.0319
26 C1y C 32.8207 -21.6804
27 C2y C 31.6249 -19.6001
28 O1a O 32.8079 -18.9008
29 C2y C 35.1669 -21.6804
30 O2a O 28.0319 -13.4251
31 C1y C 29.2335 -15.4981
32 O2x O 30.4164 -21.6804
33 C1y C 33.9839 -22.3543
34 C1x C 30.4164 -20.2999
35 C2x C 31.6249 -18.2523
36 C1a C 36.3753 -22.3671
37 C1y C 26.3894 -14.0395
38 C2x C 30.4292 -16.1850
39 C1a C 28.0319 -16.1978
40 O1a O 33.9780 -23.7406
41 C2x C 30.4292 -17.5585
42 C1x C 25.1711 -13.3904
43 O2x O 26.3747 -15.4235
44 C1y C 23.9915 -14.1167
45 C1y C 25.2530 -16.1726
46 C1y C 24.0347 -15.5236
47 O2a O 22.7681 -13.4649
48 C1a C 25.3082 -17.5568
49 O2a O 22.8551 -16.2500
50 C1y C 22.8860 -17.5487
51 C1x C 21.6831 -18.2793
52 O2x O 24.1209 -18.2845
53 C1y C 21.7309 -19.6622
54 C1y C 24.1172 -19.6030
55 C1y C 22.9373 -20.3308
56 O2a O 20.5445 -20.3789
57 C1a C 25.3269 -20.2526
58 O1a O 22.9724 -21.6925
59 C1a C 19.3523 -19.6638
60 C1x C 41.2255 -16.9130
61 C1x C 42.4248 -16.2233
62 C1x C 42.4248 -14.8301
63 O6a O 33.2204 -17.0644
64 C1a C 21.5787 -14.2068
BOND 71
1 1 4 1 #Down
2 1 5 1 #Up
3 2 6 1
4 3 7 1
5 4 8 1
6 5 9 2
7 6 10 1
8 6 11 1 #Up
9 7 12 1
10 8 13 1
11 8 14 1 #Up
12 11 15 1
13 12 16 1
14 13 17 1 #Down
15 14 18 1
16 14 19 1
17 20 15 1 #Down
18 16 21 2
19 18 62 1
20 20 22 1
21 20 23 1
22 21 24 1
23 21 25 1
24 22 26 1
25 22 27 1
26 22 28 1 #Down
27 23 29 2
28 24 30 1 #Down
29 24 31 1
30 26 32 1
31 26 33 1
32 27 34 1
33 27 35 2
34 29 36 1
35 37 30 1 #Down
36 31 38 1
37 31 39 1 #Down
38 33 40 1 #Up
39 35 41 1
40 37 42 1
41 37 43 1
42 42 44 1
43 43 45 1
44 44 46 1
45 44 47 1 #Up
46 45 48 1 #Up
47 46 49 1 #Down
48 50 49 1 #Down
49 50 51 1
50 50 52 1
51 51 53 1
52 52 54 1
53 53 55 1
54 53 56 1
55 54 57 1 #Up
56 55 58 1 #Down
57 56 59 1
58 7 10 1
59 9 13 1
60 29 33 1
61 32 34 1
62 38 41 2
63 45 46 1
64 54 55 1
65 19 60 1
66 1 2 1
67 60 61 1
68 1 3 1
69 61 62 1
70 15 63 2
71 47 64 1
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