Entry |
|
Name |
alpha-Antiarin;
Antiarigenin 3-O-beta-D-antiaroside
|
Formula |
C29H42O11
|
Exact mass |
566.2727
|
Mol weight |
566.6372
|
Structure |
|
Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08847 alpha-Antiarin
Natural toxins [BR:br08009]
Phytotoxins
Glycosides
Cardiac glycosides
C08847 alpha-Antiarin
Glycosides [BR:br08021]
O-glycosides
Cardiac glycosides
C08847 alpha-Antiarin
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 40
1 C1y C 22.1166 -20.5359
2 C1y C 22.0993 -21.9168
3 O2x O 20.9329 -19.8236
4 C1y C 20.9032 -22.5883
5 O1a O 23.2918 -22.6141
6 C1y C 19.7258 -20.5021
7 C1y C 19.7136 -21.8859
8 O1a O 20.8807 -23.9660
9 C1a C 18.5393 -19.7947
10 O1a O 18.5144 -22.5622
11 C1z C 26.9091 -17.7793
12 C1y C 28.1100 -17.0915
13 C1z C 26.9034 -19.1607
14 C1x C 25.7201 -17.0915
15 C4a C 26.8975 -16.3977
16 C1y C 29.2991 -17.7910
17 C1x C 28.1217 -15.7158
18 C1x C 25.7201 -19.8486
19 C1x C 28.0984 -19.8545
20 O1a O 26.8917 -20.5307
21 C1x C 24.5251 -17.7793
22 O4a O 25.6968 -15.7099
23 C1z C 30.4883 -17.1089
24 C1x C 29.2991 -19.1724
25 C1y C 29.3224 -15.0396
26 C1y C 24.5251 -19.1607
27 C1z C 30.5057 -15.7391
28 C1x C 32.8666 -17.0681
29 O1a O 30.4766 -18.4846
30 O1a O 29.3107 -13.6523
31 O2a O 23.3301 -19.8486
32 C1y C 31.7066 -15.0629
33 C1a C 30.4941 -14.3575
34 C1x C 32.8840 -15.7682
35 C2y C 31.7240 -13.6873
36 C2x C 33.0997 -13.6873
37 C1x C 31.2926 -12.3816
38 C7x C 33.5194 -12.3816
39 O7x O 32.4119 -11.5713
40 O6a O 34.8309 -11.9502
BOND 45
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 6 9 1 #Up
9 7 10 1 #Up
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 25 30 1 #Up
29 26 31 1 #Up
30 27 32 1
31 27 33 1 #Up
32 28 34 1
33 32 35 1
34 35 36 2
35 35 37 1
36 36 38 1
37 37 39 1
38 38 40 2
39 19 24 1
40 21 26 1
41 25 27 1
42 32 34 1
43 38 39 1
44 6 7 1
45 1 31 1 #Up
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