| Entry |
|
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| Name |
Medicagenic acid 3-O-triglucoside
|
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| Formula |
C48H76O21
|
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| Exact mass |
988.4879
|
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| Mol weight |
989.1044
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| Structure |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010615 Oleanane triterpenoids
C08959 Medicagenic acid 3-O-triglucoside
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Others
C08959 Medicagenic acid 3-O-triglucoside
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 69
1 C1y C 19.7414 -22.3783
2 O2x O 18.5369 -23.0885
3 C1y C 20.9715 -23.0682
4 C1y C 18.5554 -24.4994
5 C1y C 20.9810 -24.4774
6 O1a O 22.1759 -22.3578
7 C1b C 17.3510 -25.2098
8 C1y C 19.7714 -25.1907
9 O1a O 22.1994 -25.1590
10 O2a O 16.1323 -24.5282
11 C1y C 14.9308 -25.2435
12 O2x O 13.7090 -24.5423
13 C1y C 14.9408 -26.6514
14 C1y C 12.4914 -25.2534
15 C1y C 13.7261 -27.3674
16 O1a O 16.1567 -27.3424
17 C1y C 12.4308 -26.6627
18 C1b C 11.2640 -24.5569
19 O1a O 13.7376 -28.7688
20 O1a O 11.3098 -27.3719
21 O1a O 11.2656 -23.1546
22 C1y C 20.9629 -17.4640
23 C1y C 20.8964 -18.8793
24 O2x O 19.7453 -16.7763
25 C1y C 19.7536 -19.5792
26 O1a O 22.1782 -19.5770
27 C1y C 18.5350 -17.4859
28 O2a O 19.7550 -20.9864
29 C1y C 18.5418 -18.8814
30 C1b C 17.3232 -16.7882
31 O1a O 17.3183 -19.5902
32 O1a O 17.3198 -15.3730
33 C1z C 28.2420 -14.6839
34 C1z C 29.4577 -13.9882
35 C1y C 27.0390 -13.9765
36 C1x C 28.2420 -16.0704
37 C1a C 28.8603 -13.2680
38 C2y C 29.4694 -12.5958
39 C1x C 30.6549 -14.6956
40 C1a C 29.4390 -15.3864
41 C1z C 25.8170 -14.6662
42 C1x C 27.0448 -12.5782
43 C1x C 27.0202 -16.7789
44 C1y C 30.6841 -11.9047
45 C2x C 28.2654 -11.8813
46 C1x C 31.8650 -14.0175
47 C1y C 25.8113 -16.0644
48 C1x C 24.6012 -13.9765
49 C1a C 25.8055 -13.2623
50 C1z C 31.8826 -12.6249
51 C1x C 30.6317 -10.5194
52 C1z C 24.6012 -16.7729
53 C1y C 23.3922 -14.6662
54 C1x C 33.0914 -11.9469
55 C6a C 33.0739 -13.3277
56 C1z C 31.9235 -9.8343
57 C1y C 23.3922 -16.0644
58 C6a C 24.9670 -18.1234
59 C1a C 23.8938 -17.9819
60 O1a O 22.1823 -13.9765
61 C1x C 33.1090 -10.5487
62 O6a O 34.2957 -12.6190
63 O6a O 33.0680 -14.7261
64 C1a C 32.6015 -8.5555
65 C1a C 31.2033 -8.6255
66 O2a O 22.1823 -16.7729
67 O6a O 26.3713 -18.2634
68 O6a O 24.5895 -19.4748
69 O1a O 19.7626 -26.5867
BOND 76
1 14 18 1 #Up
2 15 19 1 #Up
3 17 20 1 #Down
4 18 21 1
5 5 8 1
6 15 17 1
7 1 2 1
8 1 3 1
9 2 4 1
10 3 5 1
11 3 6 1 #Down
12 4 7 1 #Up
13 4 8 1
14 5 9 1 #Up
15 7 10 1
16 11 10 1 #Up
17 22 23 1
18 22 24 1
19 23 25 1
20 23 26 1 #Down
21 24 27 1
22 25 28 1 #Up
23 25 29 1
24 27 30 1 #Up
25 29 31 1 #Down
26 30 32 1
27 27 29 1
28 11 12 1
29 11 13 1
30 12 14 1
31 13 15 1
32 13 16 1 #Down
33 33 34 1
34 33 35 1
35 33 36 1
36 33 37 1 #Up
37 34 38 1
38 34 39 1
39 34 40 1 #Down
40 35 41 1
41 35 42 1
42 36 43 1
43 38 44 1
44 38 45 2
45 39 46 1
46 41 47 1
47 41 48 1
48 41 49 1 #Up
49 44 50 1
50 44 51 1
51 47 52 1
52 48 53 1
53 50 54 1
54 50 55 1 #Up
55 51 56 1
56 52 57 1
57 52 58 1 #Down
58 52 59 1 #Up
59 53 60 1 #Up
60 54 61 1
61 55 62 1
62 55 63 2
63 56 64 1
64 56 65 1
65 57 66 1 #Up
66 58 67 1
67 58 68 2
68 42 45 1
69 43 47 1
70 46 50 1
71 53 57 1
72 56 61 1
73 22 66 1 #Up
74 1 28 1 #Up
75 14 17 1
76 8 69 1 #Down
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