| Entry |
|
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| Name |
Diginatin;
Diginatigenin 3-O-tridigitoxoside
|
|---|
| Formula |
C41H64O15
|
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| Exact mass |
796.4245
|
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| Mol weight |
796.9379
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| Structure |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08861 Diginatin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08861 Diginatin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08861 Diginatin
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 56
1 C1z C 35.3022 -18.4694
2 C1z C 35.3138 -17.0863
3 C1y C 34.1000 -19.1640
4 C1x C 37.6868 -18.4998
5 O1a O 35.2834 -19.8455
6 C1y C 36.5219 -16.4162
7 C1y C 34.1302 -16.3917
8 C1a C 35.3081 -15.7100
9 C1y C 32.9163 -18.4508
10 C1x C 34.1000 -20.5342
11 C1y C 37.6415 -17.1166
12 C2y C 36.5336 -15.0329
13 C1x C 32.9163 -17.0746
14 O1a O 34.1185 -14.9968
15 C1z C 31.7094 -19.1393
16 C1x C 32.9047 -21.2287
17 O1a O 38.9125 -16.4466
18 C1x C 36.1111 -13.7234
19 C2x C 37.9168 -15.0329
20 C1y C 31.7035 -20.5285
21 C1x C 30.5200 -18.4449
22 C1a C 31.6908 -17.7504
23 O7x O 37.2223 -12.9074
24 C7x C 38.3453 -13.7234
25 C1x C 30.5200 -21.2230
26 C1x C 29.3118 -19.1393
27 O6a O 39.6619 -13.2938
28 C1y C 29.3118 -20.5285
29 O2a O 28.1038 -21.2230
30 C1y C 26.9026 -20.5285
31 C1x C 25.7133 -21.2287
32 O2x O 26.8969 -19.1393
33 C1y C 24.5051 -20.5401
34 C1y C 25.6945 -18.4508
35 C1y C 24.4992 -19.1640
36 O1a O 23.3041 -21.2346
37 C1a C 25.6888 -17.0687
38 O2a O 23.2854 -18.4508
39 C1y C 22.0901 -19.1393
40 C1x C 20.8820 -18.4449
41 O2x O 22.0901 -20.5285
42 C1y C 19.6681 -19.1453
43 C1y C 20.8879 -21.2287
44 C1y C 19.6681 -20.5342
45 O1a O 18.5486 -18.1708
46 C1a C 20.8879 -22.6121
47 O2a O 18.4728 -21.2170
48 C1y C 17.2775 -20.5226
49 O2x O 17.2647 -19.1336
50 C1x C 16.0753 -21.2230
51 C1y C 16.0637 -18.4449
52 C1y C 14.8834 -20.5342
53 C1y C 14.8752 -19.1453
54 C1a C 16.0578 -17.0559
55 O1a O 13.6926 -21.2287
56 O1a O 13.6608 -18.4634
BOND 63
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 2 8 1 #Up
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 7 13 1
13 7 14 1 #Up
14 9 15 1
15 10 16 1
16 11 17 1 #Up
17 12 18 1
18 12 19 2
19 15 20 1
20 15 21 1
21 15 22 1 #Up
22 18 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 24 27 2
27 25 28 1
28 28 29 1 #Up
29 30 29 1 #Up
30 30 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 33 35 1
35 33 36 1 #Down
36 34 37 1 #Up
37 35 38 1 #Down
38 39 38 1 #Down
39 39 40 1
40 39 41 1
41 40 42 1
42 41 43 1
43 42 44 1
44 42 45 1 #Up
45 43 46 1 #Down
46 44 47 1 #Up
47 48 47 1 #Up
48 48 49 1
49 48 50 1
50 49 51 1
51 50 52 1
52 51 53 1
53 51 54 1 #Up
54 52 55 1 #Down
55 53 56 1 #Down
56 6 11 1
57 9 13 1
58 16 20 1
59 23 24 1
60 26 28 1
61 34 35 1
62 43 44 1
63 52 53 1
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