| Entry |
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| Name |
Vernadigin;
Strophadogenin 3-O-beta-D-diginoside
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| Formula |
C30H44O10
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| Exact mass |
564.2934
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| Mol weight |
564.6644
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| Structure |
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08884 Vernadigin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08884 Vernadigin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 40
1 C1y C 22.0684 -19.9791
2 C1x C 22.0205 -21.3599
3 O2x O 20.8574 -19.3152
4 C1y C 20.9126 -22.0698
5 C1y C 19.6796 -20.0249
6 C1y C 19.7045 -21.4008
7 O2a O 20.9347 -23.4506
8 C1a C 18.4713 -19.3559
9 O1a O 18.5208 -22.1208
10 C1a C 19.7437 -24.1599
11 C1z C 27.0056 -17.5579
12 C1y C 28.2118 -16.8763
13 C1z C 26.9997 -18.9389
14 C1x C 25.8169 -16.8704
15 C4a C 26.9940 -16.1771
16 C1y C 29.3945 -17.5696
17 C1x C 28.2175 -15.4953
18 C1x C 25.8169 -19.6265
19 C1x C 28.1942 -19.6322
20 O1a O 26.9881 -20.3081
21 C1x C 24.6225 -17.5579
22 O4a O 26.0151 -15.1924
23 C1z C 30.5831 -16.8880
24 C1x C 29.3945 -18.9506
25 C1x C 29.4179 -14.8194
26 C1y C 24.6225 -18.9389
27 C1z C 30.6006 -15.5186
28 C1x C 32.9603 -16.8470
29 O1a O 30.5714 -18.2630
30 O2a O 23.4223 -19.6265
31 C1y C 31.7951 -14.8428
32 C1a C 30.5890 -14.1378
33 C1y C 32.9779 -15.5479
34 C2y C 31.8125 -13.4677
35 O1a O 34.1840 -14.8720
36 C1x C 31.3872 -12.1568
37 C2x C 33.1818 -13.4677
38 O7x O 32.4943 -11.3527
39 C7x C 33.6129 -12.1568
40 O6a O 34.9239 -11.7315
BOND 45
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Up
7 5 8 1 #Up
8 6 9 1 #Up
9 7 10 1
10 11 12 1
11 11 13 1
12 11 14 1
13 11 15 1 #Up
14 12 16 1
15 12 17 1
16 13 18 1
17 13 19 1
18 13 20 1 #Up
19 14 21 1
20 15 22 2
21 16 23 1
22 16 24 1
23 17 25 1
24 18 26 1
25 23 27 1
26 23 28 1
27 23 29 1 #Up
28 26 30 1 #Up
29 27 31 1
30 27 32 1 #Up
31 28 33 1
32 31 34 1
33 33 35 1 #Up
34 34 36 1
35 34 37 2
36 36 38 1
37 37 39 1
38 39 40 2
39 19 24 1
40 21 26 1
41 25 27 1
42 31 33 1
43 38 39 1
44 5 6 1
45 1 30 1 #Up
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