| Entry |
|
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| Name |
Gitoxin;
Gitoxigenin 3-O-tridigitoxoside
|
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| Formula |
C41H64O14
|
|---|
| Exact mass |
780.4296
|
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| Mol weight |
780.9385
|
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| Structure |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
23-Carbon atoms
Cardanolide derivatives
C08866 Gitoxin
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08866 Gitoxin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08866 Gitoxin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08866 Gitoxin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 55
1 C1z C 35.0867 -21.3074
2 C1y C 33.8842 -21.9889
3 C1z C 35.0982 -19.9298
4 C1x C 37.4713 -21.2677
5 O1a O 35.0679 -22.6836
6 C1y C 32.6948 -21.2886
7 C1x C 33.8842 -23.3781
8 C1y C 36.3064 -19.2539
9 C1x C 33.9088 -19.2296
10 C1a C 35.0924 -18.5479
11 C1y C 37.4960 -19.9603
12 C1z C 31.4935 -21.9832
13 C1x C 32.6948 -19.9124
14 C1x C 32.6761 -24.0668
15 C2y C 36.3181 -17.8708
16 O1a O 38.6913 -19.2843
17 C1y C 31.4935 -23.3665
18 C1x C 30.2913 -21.2886
19 C1a C 31.4750 -20.5941
20 C2x C 37.7014 -17.8708
21 C1x C 35.8955 -16.5610
22 C1x C 30.2913 -24.0610
23 C1x C 29.0831 -21.9832
24 C7x C 38.1298 -16.5610
25 O7x O 37.0128 -15.7392
26 C1y C 29.0831 -23.3665
27 O6a O 39.4466 -16.1256
28 O2a O 27.8820 -24.0610
29 C1y C 26.6738 -23.3665
30 C1x C 25.4784 -24.0668
31 O2x O 26.6679 -21.9832
32 C1y C 24.2831 -23.3781
33 C1y C 25.4725 -21.2886
34 C1y C 24.2702 -21.9889
35 O1a O 23.0690 -24.0784
36 C1a C 25.4668 -19.9124
37 O2a O 23.0632 -21.3074
38 C1y C 21.8609 -21.9832
39 C1x C 20.6597 -21.3074
40 O2x O 21.8609 -23.3781
41 C1y C 19.4457 -21.9889
42 C1y C 20.6597 -24.0727
43 C1y C 19.4457 -23.3781
44 O1a O 18.3904 -21.0274
45 C1a C 20.6597 -25.4619
46 O2a O 18.2504 -24.0727
47 C1y C 17.0422 -23.3781
48 O2x O 17.0364 -21.9889
49 C1x C 15.8526 -24.0784
50 C1y C 15.8338 -21.3074
51 C1y C 14.6445 -23.4028
52 C1y C 14.6329 -22.0077
53 C1a C 15.8338 -19.9241
54 O1a O 13.4570 -24.0972
55 O1a O 13.4570 -21.3191
BOND 62
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 1 #Up
16 12 17 1
17 12 18 1
18 12 19 1 #Up
19 15 20 2
20 15 21 1
21 17 22 1
22 18 23 1
23 20 24 1
24 21 25 1
25 22 26 1
26 24 27 2
27 26 28 1 #Up
28 29 28 1 #Up
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 32 35 1 #Down
35 33 36 1 #Up
36 34 37 1 #Down
37 38 37 1 #Down
38 38 39 1
39 38 40 1
40 39 41 1
41 40 42 1
42 41 43 1
43 41 44 1 #Up
44 42 45 1 #Down
45 43 46 1 #Up
46 47 46 1 #Up
47 47 48 1
48 47 49 1
49 48 50 1
50 49 51 1
51 50 52 1
52 50 53 1 #Up
53 51 54 1 #Down
54 52 55 1 #Down
55 8 11 1
56 9 13 1
57 14 17 1
58 23 26 1
59 24 25 1
60 33 34 1
61 42 43 1
62 51 52 1
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