Entry |
|
Name |
Vomitoxin;
Deoxynivalenol;
DON
|
Formula |
C15H20O6
|
Exact mass |
296.126
|
Mol weight |
296.3157
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010318 Trichothecane sesquiterpenoids
C09747 Vomitoxin
Natural toxins [BR:br08009]
Fungal toxins
Mycotoxins
Trichothecenes
C09747 Vomitoxin
|
Other DBs |
|
KCF data |
ATOM 21
1 C1x C 25.7702 -15.9796
2 O2x O 26.3374 -14.9294
3 C1z C 27.3442 -15.9597
4 C1z C 26.2022 -16.6092
5 C1y C 27.3501 -14.6311
6 C1z C 25.0639 -15.9480
7 C1x C 28.6974 -16.6163
8 C1a C 26.1906 -17.9201
9 O2x O 26.2139 -13.9630
10 C1y C 28.6668 -14.6311
11 C1y C 25.0698 -14.6195
12 C1y C 23.9266 -16.6034
13 C1b C 25.4130 -17.3012
14 O1a O 29.6081 -13.6898
15 C2x C 23.9266 -13.9571
16 C5x C 22.7850 -15.9480
17 O1a O 22.9750 -17.5375
18 O1a O 24.7998 -18.3256
19 C2y C 22.7850 -14.6195
20 O5x O 21.6350 -16.6034
21 C1a C 21.6350 -13.9571
BOND 24
1 1 2 1
2 3 4 1
3 3 5 1
4 3 2 1 #Down
5 4 6 1
6 4 7 1
7 4 8 1 #Up
8 5 9 1
9 5 10 1
10 6 11 1
11 6 12 1
12 6 13 1 #Down
13 10 14 1 #Down
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 15 19 2
19 16 20 2
20 19 21 1
21 7 10 1
22 9 11 1
23 16 19 1
24 3 1 1
|