| Entry |
|
|---|
| Name |
Grayanotoxin I;
Rhodotoxine
|
|---|
| Formula |
C22H36O7
|
|---|
| Exact mass |
412.2461
|
|---|
| Mol weight |
412.517
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010418 Leucothol and grayanotoxane diterpenoids
C09103 Grayanotoxin I
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Grayanoids
C09103 Grayanotoxin I
Natural toxins [BR:br08009]
Phytotoxins
Terpenoids
Diterpenoids
C09103 Grayanotoxin I
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1z C 36.2271 -28.2902
2 C1y C 37.5357 -28.6756
3 C1y C 35.9072 -26.9767
4 C1x C 35.3915 -29.3654
5 C1y C 38.5203 -27.7323
6 O7a O 37.9468 -30.4289
7 C1z C 34.6744 -26.4000
8 C1x C 36.8864 -26.0306
9 C1y C 34.0244 -29.3747
10 C1x C 38.1952 -26.4161
11 C7a C 37.2660 -31.6029
12 C1y C 33.4690 -26.9920
13 C1z C 33.1803 -28.3236
14 O1a O 33.7028 -30.9025
15 C1a C 37.9539 -32.7750
16 O6a O 35.9099 -31.5401
17 C1x C 32.2984 -26.3055
18 C1z C 31.8249 -28.4604
19 O1a O 33.1275 -29.7787
20 C1y C 31.2863 -27.2123
21 C1a C 30.4536 -28.4915
22 O1a O 29.9617 -26.9192
23 C1a C 31.4953 -29.7779
24 C1x C 36.6075 -29.5922
25 C1z C 38.9062 -29.0309
26 C1a C 40.2324 -29.3484
27 O1a O 39.2924 -30.3295
28 C1a C 35.4614 -24.9137
29 O1a O 34.2061 -25.0296
BOND 32
1 5 10 1
2 6 11 1
3 7 12 1
4 9 13 1
5 9 14 1 #Up
6 11 15 1
7 11 16 2
8 12 17 1
9 13 18 1
10 13 19 1 #Up
11 17 20 1
12 18 21 1
13 20 22 1 #Up
14 8 10 1
15 12 13 1
16 18 20 1
17 18 23 1
18 1 2 1
19 1 24 1 #Up
20 1 3 1
21 5 25 1 #Up
22 24 25 1
23 1 4 1
24 25 26 1 #Up
25 2 5 1
26 25 27 1 #Down
27 2 6 1 #Down
28 3 7 1
29 7 28 1 #Up
30 3 8 1
31 7 29 1 #Down
32 4 9 1
|
|---|
