Entry |
|
Name |
Aflatoxin B1-endo-8,9-epoxide
|
Formula |
C17H12O7
|
Exact mass |
328.0583
|
Mol weight |
328.273
|
Structure |
|
Reaction |
|
Pathway |
map00980 | Metabolism of xenobiotics by cytochrome P450 |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK10 Aflatoxins and related substances
C19595 Aflatoxin B1-endo-8,9-epoxide
|
Other DBs |
|
KCF data |
ATOM 24
1 C8y C 31.0006 -19.9576
2 C8y C 32.1424 -19.2609
3 C1y C 29.6018 -19.5127
4 C8y C 30.9949 -21.3627
5 C8y C 33.3485 -19.9634
6 O7x O 32.1485 -17.8618
7 C1y C 28.7705 -20.6542
8 C1y C 28.7762 -18.3654
9 C8x C 32.1424 -22.0593
10 O2x O 29.5901 -21.7900
11 C8y C 34.5661 -19.2726
12 C8y C 33.3485 -21.3627
13 C8y C 33.3660 -17.1711
14 O2x O 27.4298 -20.2094
15 C1y C 27.4357 -18.7985
16 C8y C 34.5718 -17.8735
17 C1x C 35.8892 -19.7118
18 O2a O 34.5661 -22.0593
19 O6a O 33.4243 -15.7660
20 C5x C 35.9009 -17.4520
21 C1x C 36.7146 -18.5819
22 C1a C 35.7721 -21.3450
23 O5x O 36.3399 -16.1172
24 O2x O 27.7985 -17.4443
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 2
16 11 17 1
17 12 18 1
18 13 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 20 23 2
23 7 10 1
24 9 12 2
25 13 16 1
26 14 15 1
27 20 21 1
28 15 24 1 #Up
29 8 24 1 #Up
|