| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C45H73NO16
|
|---|
| Exact mass |
883.4929
|
|---|
| Mol weight |
884.0582
|
|---|
| Structure |
|
|---|
| Pathway |
| map01066 | Biosynthesis of alkaloids derived from terpenoid and polyketide |
|
|---|
| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0115 Solanidines and alkaloid derivatives
C10824 Solasonine
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived by amination reactions
Steroid alkaloids
C10824 Solasonine
Glycosides [BR:br08021]
O-glycosides
Glycoalkaloid
C10824 Solasonine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 62
1 C1y C 30.7660 -14.8588
2 C1y C 31.9475 -15.5498
3 C1y C 30.7718 -13.4954
4 C1x C 31.9125 -16.8434
5 O2x O 33.1061 -14.8646
6 C1z C 33.1119 -13.4954
7 C1a C 29.7929 -12.5363
8 C1x C 34.2876 -14.1864
9 N1x N 33.1119 -12.1447
10 C1x C 35.4575 -13.4954
11 C1x C 34.2935 -11.4721
12 C1y C 35.4692 -12.1504
13 C1a C 36.6521 -11.4721
14 C1y C 29.5657 -16.8776
15 C1z C 29.5657 -15.5260
16 O2a O 22.4517 -19.7177
17 C1x C 28.3991 -14.8169
18 C1y C 28.3758 -17.5255
19 C1x C 27.2224 -15.4844
20 C1y C 27.2107 -16.8417
21 C1x C 28.3758 -18.8825
22 C1z C 26.0401 -17.5138
23 C2x C 27.1991 -19.5618
24 C2y C 26.0342 -18.8710
25 C1x C 24.8624 -16.8358
26 C1a C 26.0284 -16.1568
27 C1x C 24.8624 -19.5559
28 C1x C 23.6846 -17.5138
29 C1y C 23.6846 -18.8710
30 C1a C 29.5657 -14.1464
31 C1y C 23.4976 -23.2061
32 C1y C 24.6743 -22.5339
33 O2x O 23.4917 -24.5761
34 C1y C 25.8605 -23.2166
35 O1a O 24.6875 -21.1651
36 C1y C 24.6645 -25.2663
37 C1y C 25.8494 -24.5895
38 O1a O 27.0399 -22.5496
39 C1a C 24.6542 -26.6521
40 O1a O 27.0244 -25.2717
41 C1y C 21.1253 -20.4748
42 C1y C 21.1232 -21.8297
43 O2x O 19.9411 -19.7927
44 C1y C 19.9455 -22.5222
45 O2a O 22.3077 -22.5189
46 C1y C 18.7627 -20.4672
47 C1y C 18.7543 -21.8331
48 O2a O 19.9222 -23.9196
49 C1b C 17.5750 -19.7910
50 O1a O 17.5755 -18.4270
51 O1a O 17.5519 -22.5258
52 O2x O 18.7249 -26.2261
53 C1y C 18.7249 -27.6128
54 C1y C 19.9349 -28.3097
55 C1y C 21.1307 -27.6128
56 C1y C 21.1307 -26.2261
57 C1y C 19.9349 -25.5292
58 C1b C 17.5252 -28.3104
59 O1a O 16.3248 -27.6140
60 O1a O 19.9366 -29.6964
61 O1a O 22.3312 -28.3088
62 O1a O 22.3312 -25.5300
BOND 70
1 27 29 1
2 19 20 1
3 23 24 2
4 28 29 1
5 15 30 1 #Up
6 29 16 1 #Up
7 15 1 1
8 1 2 1
9 1 3 1
10 14 4 1
11 2 5 1
12 3 6 1
13 3 7 1 #Down
14 6 8 1 #Up
15 6 9 1 #Down
16 8 10 1
17 9 11 1
18 10 12 1
19 12 13 1 #Down
20 2 4 1
21 5 6 1
22 11 12 1
23 15 14 1
24 32 35 1 #Down
25 33 36 1
26 34 37 1
27 34 38 1 #Down
28 36 39 1 #Down
29 37 40 1 #Up
30 36 37 1
31 41 42 1
32 41 43 1
33 42 44 1
34 42 45 1 #Down
35 43 46 1
36 44 47 1
37 44 48 1 #Up
38 46 49 1 #Up
39 49 50 1
40 46 47 1
41 31 32 1
42 31 33 1
43 32 34 1
44 41 16 1 #Up
45 31 45 1 #Up
46 15 17 1
47 47 51 1 #Up
48 14 18 1
49 17 19 1
50 18 20 1
51 18 21 1
52 20 22 1
53 21 23 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 52 1
60 57 48 1 #Up
61 22 24 1
62 53 58 1 #Up
63 22 25 1
64 58 59 1
65 22 26 1 #Up
66 54 60 1 #Down
67 24 27 1
68 55 61 1 #Up
69 25 28 1
70 56 62 1 #Down
|
|---|
