Entry |
|
Name |
|
Formula |
C33H57N3O9
|
Exact mass |
639.4095
|
Mol weight |
639.8204
|
Structure |
|
Sequence |
0 Ala 1 Val 2 Val 3 Val 4 Val 5 Val |
Organism |
Verticillium hemipterigenum BCC 1449 |
Type |
NRP |
Brite |
Natural toxins [BR:br08009]
Fungal toxins
Mycotoxins
Others
C15740 Enniatin B
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 45
1 C1y C 23.2400 -22.2600
2 C7x C 23.2400 -23.6600
3 O7x O 21.9100 -24.1500
4 C1y C 22.0500 -25.5500
5 C5x C 20.7900 -26.1800
6 N1y N 19.6700 -25.2700
7 C1y C 18.5500 -26.1100
8 C7x C 17.2900 -25.4800
9 O7x O 17.4300 -24.0800
10 C1y C 16.1000 -23.5900
11 C5x C 16.1000 -22.1900
12 N1y N 17.4300 -21.7000
13 C1y C 17.2900 -20.3000
14 C7x C 18.5500 -19.6700
15 O7x O 19.6700 -20.5800
16 C1y C 20.7900 -19.7400
17 C5x C 22.0500 -20.3700
18 N1y N 21.9100 -21.7700
19 C1a C 18.6200 -22.4700
20 C1a C 20.7200 -22.4700
21 C1a C 19.6700 -23.8700
22 C1c C 14.9100 -24.3600
23 C1a C 13.6500 -23.7300
24 C1a C 15.0500 -25.7600
25 O5x O 14.9800 -21.3500
26 C1c C 16.0300 -19.6000
27 C1a C 14.8400 -20.3700
28 C1a C 16.0300 -18.2000
29 O6a O 18.6900 -18.2700
30 C1c C 20.7200 -18.3400
31 C1a C 19.4600 -17.7100
32 C1a C 21.8400 -17.5700
33 O5x O 23.3100 -19.7400
34 C1c C 24.4300 -21.4900
35 C1a C 25.6900 -22.1200
36 C1a C 24.2900 -20.0900
37 O6a O 24.3600 -24.4300
38 C1c C 23.2400 -26.2500
39 C1a C 24.4300 -25.5500
40 C1a C 23.3100 -27.6500
41 O5x O 20.6500 -27.5800
42 C1c C 18.6200 -27.5100
43 C1a C 19.8800 -28.1400
44 C1a C 17.5000 -28.2800
45 O6a O 16.0300 -26.1100
BOND 45
1 13 14 1
2 14 15 1
3 11 12 1
4 16 17 1
5 17 18 1
6 15 16 1
7 1 18 1
8 1 2 1
9 2 3 1
10 4 5 1
11 5 6 1
12 6 7 1
13 3 4 1
14 8 9 1
15 9 10 1
16 10 11 1
17 7 8 1
18 12 13 1
19 12 19 1
20 18 20 1
21 6 21 1
22 10 22 1 #Down
23 22 23 1
24 22 24 1
25 11 25 2
26 13 26 1 #Up
27 26 27 1
28 26 28 1
29 14 29 2
30 16 30 1 #Down
31 30 31 1
32 30 32 1
33 17 33 2
34 1 34 1 #Up
35 34 35 1
36 34 36 1
37 2 37 2
38 4 38 1 #Down
39 38 39 1
40 38 40 1
41 5 41 2
42 7 42 1 #Up
43 42 43 1
44 42 44 1
45 8 45 2
|