Entry |
|
Name |
|
Formula |
C50H83NO21
|
Exact mass |
1033.5458
|
Mol weight |
1034.1881
|
Structure |
|
Reaction |
|
Pathway |
map00996 | Biosynthesis of various alkaloids |
map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0115 Solanidines and alkaloid derivatives
C10827 Tomatine
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived by amination reactions
Steroid alkaloids
C10827 Tomatine
Glycosides [BR:br08021]
O-glycosides
Glycoalkaloid
C10827 Tomatine
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C10827
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 72
1 C1y C 25.3604 -20.7875
2 O2x O 24.1536 -20.1123
3 C1y C 25.3252 -22.1694
4 C1y C 22.9581 -20.8466
5 C1y C 24.2102 -22.8906
6 O1a O 26.6073 -22.8307
7 C1y C 22.9880 -22.2244
8 C1b C 21.7521 -20.1882
9 O1a O 24.2279 -24.2786
10 O2a O 21.8137 -22.9568
11 O1a O 21.7073 -18.7833
12 C1y C 20.5849 -22.2682
13 C1y C 19.3998 -22.9758
14 O2x O 20.5788 -20.8837
15 C1y C 18.1884 -22.2875
16 O2a O 19.4039 -24.3687
17 C1y C 19.3978 -20.1922
18 O2a O 16.9858 -22.9837
19 C1y C 18.1958 -20.8839
20 C1y C 19.4402 -25.7462
21 C1b C 19.3677 -18.8254
22 C1y C 15.7777 -22.2896
23 O1a O 17.0539 -19.9975
24 O2x O 18.2544 -26.4598
25 C1y C 20.6494 -26.4209
26 O2x O 15.7737 -20.9039
27 C1y C 14.5873 -22.9892
28 C1y C 18.2671 -27.8344
29 C1y C 20.6633 -27.8013
30 O1a O 21.8405 -25.7025
31 C1x C 14.5639 -20.2106
32 C1y C 13.3891 -22.3019
33 O1a O 14.5892 -24.3797
34 C1y C 19.4672 -28.4989
35 C1b C 17.0641 -28.5360
36 O1a O 21.8580 -28.4872
37 C1y C 13.3642 -20.9139
38 O1a O 12.1842 -23.0092
39 O1a O 19.4918 -29.8867
40 O1a O 15.8678 -27.8595
41 O1a O 12.1694 -20.2336
42 O1a O 20.4351 -17.8954
43 O2a O 26.6921 -19.7883
44 C1x C 37.1923 -12.0439
45 C1z C 37.1923 -13.4151
46 N1x N 38.3789 -14.1008
47 C1x C 39.5656 -13.4151
48 C1y C 39.5656 -12.0439
49 C1x C 38.3789 -11.3582
50 C1y C 34.8651 -14.7631
51 C1y C 35.9673 -15.4427
52 C1y C 34.8709 -13.4151
53 C1x C 36.0022 -16.7207
54 O2x O 37.1865 -14.7689
55 C1a C 33.9091 -12.4661
56 C1y C 33.6810 -16.7547
57 C1z C 33.6810 -15.4188
58 C1x C 32.5218 -14.7066
59 C1y C 32.4984 -17.4123
60 C1x C 31.3402 -15.3699
61 C1y C 31.3285 -16.7256
62 C1x C 32.4984 -18.7677
63 C1z C 30.1671 -17.4006
64 C1x C 31.3168 -19.4501
65 C1y C 30.1612 -18.7633
66 C1x C 28.9845 -16.7196
67 C1a C 30.1554 -16.0449
68 C1x C 28.9845 -19.4441
69 C1x C 27.8089 -17.4006
70 C1y C 27.8089 -18.7633
71 C1a C 33.6861 -14.0404
72 C1a C 40.7499 -11.3592
BOND 81
1 28 35 1 #Up
2 29 36 1 #Up
3 31 37 1
4 32 38 1 #Up
5 34 39 1 #Down
6 35 40 1
7 37 41 1 #Down
8 5 7 1
9 17 19 1
10 29 34 1
11 32 37 1
12 1 2 1
13 1 3 1
14 2 4 1
15 3 5 1
16 3 6 1 #Down
17 4 7 1
18 45 44 1 #Down
19 45 46 1 #Up
20 46 47 1
21 47 48 1
22 48 49 1
23 49 44 1
24 4 8 1 #Up
25 5 9 1 #Up
26 7 10 1 #Up
27 8 11 1
28 1 43 1 #Up
29 21 42 1
30 12 10 1 #Up
31 12 13 1
32 57 50 1
33 50 51 1
34 50 52 1
35 56 53 1
36 51 54 1
37 52 45 1
38 52 55 1 #Down
39 51 53 1
40 54 45 1
41 12 14 1
42 13 15 1
43 13 16 1 #Down
44 14 17 1
45 15 18 1 #Up
46 15 19 1
47 20 16 1 #Up
48 17 21 1 #Up
49 22 18 1 #Up
50 19 23 1 #Down
51 20 24 1
52 20 25 1
53 22 26 1
54 22 27 1
55 24 28 1
56 25 29 1
57 25 30 1 #Down
58 26 31 1
59 27 32 1
60 27 33 1 #Down
61 59 61 1
62 59 62 1
63 61 63 1
64 62 64 1
65 63 65 1
66 63 66 1
67 63 67 1 #Up
68 65 68 1
69 66 69 1
70 68 70 1
71 60 61 1
72 64 65 1
73 69 70 1
74 57 71 1 #Up
75 70 43 1 #Up
76 57 56 1
77 57 58 1
78 56 59 1
79 58 60 1
80 28 34 1
81 48 72 1 #Down
|