| Entry |
|
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| Name |
k-Strophanthoside;
Strophanthidin 3-diglucosylcymarose
|
|---|
| Formula |
C42H64O19
|
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| Exact mass |
872.4042
|
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| Mol weight |
872.94
|
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| Structure |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08881 k-Strophanthoside
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08881 k-Strophanthoside
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08881 k-Strophanthoside
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 61
1 C1y C 17.8811 -23.3105
2 O2x O 16.6913 -22.6016
3 C1y C 17.8610 -24.6941
4 C1y C 15.4814 -23.2824
5 C1y C 16.6570 -25.3690
6 O1a O 19.0621 -25.4088
7 C1y C 15.4672 -24.6660
8 C1b C 14.3037 -22.5560
9 O1a O 16.6426 -26.7400
10 O1a O 14.2573 -25.3408
11 C1y C 22.7112 -20.5502
12 O2x O 21.5133 -19.8438
13 C1y C 22.7029 -21.9352
14 C1y C 20.3045 -20.5299
15 C1y C 21.4941 -22.6212
16 O1a O 23.9087 -22.6439
17 C1y C 20.2939 -21.9226
18 C1b C 19.1173 -19.8308
19 O1a O 21.4835 -24.0140
20 O2a O 19.0953 -22.6031
21 C1y C 27.5172 -17.7392
22 C1x C 27.5280 -19.1232
23 O2x O 26.3072 -17.0562
24 C1y C 26.3416 -19.8245
25 C1y C 25.1131 -17.7599
26 C1y C 25.1317 -19.1416
27 O2a O 26.3496 -21.2137
28 C1a C 23.9030 -17.0767
29 O2a O 23.9245 -19.8445
30 C1z C 32.3450 -14.9711
31 C1y C 33.5419 -14.2821
32 C1z C 32.3392 -16.3605
33 C1x C 31.1423 -14.2762
34 C4a C 32.3335 -13.5815
35 C1y C 34.7388 -14.9828
36 C1x C 33.5595 -12.8926
37 C1x C 33.5361 -17.0554
38 C1x C 31.1423 -17.0494
39 O1a O 32.3218 -17.7326
40 C1x C 29.9397 -14.9711
41 O4a O 31.1249 -12.8867
42 C1z C 35.9299 -14.2996
43 C1x C 34.7388 -16.3664
44 C1x C 34.7564 -12.2211
45 C1y C 29.9397 -16.3605
46 C1z C 35.9416 -12.9159
47 C1x C 38.3877 -14.2530
48 O1a O 35.9182 -15.6717
49 O2a O 28.7369 -17.0494
50 C1y C 37.1501 -12.2504
51 C1a C 35.9356 -11.5321
52 C1x C 38.3353 -12.9451
53 C2y C 37.1618 -10.8608
54 C1x C 36.7355 -9.5471
55 C2x C 38.5455 -10.8608
56 O7x O 37.8565 -8.7356
57 C7x C 38.9776 -9.5471
58 O6a O 40.2913 -9.1209
59 O1a O 17.9016 -20.5189
60 O1a O 13.0743 -23.2191
61 C1a C 27.5620 -21.9137
BOND 68
1 15 19 1 #Up
2 17 20 1 #Down
3 15 17 1
4 5 7 1
5 1 2 1
6 1 3 1
7 2 4 1
8 3 5 1
9 3 6 1 #Down
10 4 7 1
11 4 8 1 #Up
12 5 9 1 #Up
13 7 10 1 #Down
14 11 12 1
15 11 13 1
16 12 14 1
17 13 15 1
18 13 16 1 #Down
19 21 22 1
20 21 23 1
21 22 24 1
22 23 25 1
23 24 26 1
24 24 27 1 #Down
25 25 28 1 #Up
26 26 29 1 #Down
27 25 26 1
28 14 17 1
29 11 29 1 #Up
30 1 20 1 #Up
31 30 31 1
32 30 32 1
33 30 33 1
34 30 34 1 #Up
35 31 35 1
36 31 36 1
37 32 37 1
38 32 38 1
39 32 39 1 #Up
40 33 40 1
41 34 41 2
42 35 42 1
43 35 43 1
44 36 44 1
45 38 45 1
46 42 46 1
47 42 47 1
48 42 48 1 #Up
49 45 49 1 #Up
50 46 50 1
51 46 51 1 #Up
52 47 52 1
53 50 53 1
54 53 54 1
55 53 55 2
56 54 56 1
57 55 57 1
58 57 58 2
59 37 43 1
60 40 45 1
61 44 46 1
62 50 52 1
63 56 57 1
64 21 49 1 #Up
65 14 18 1 #Up
66 18 59 1
67 8 60 1
68 27 61 1
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