KEGG   COMPOUND: C19586
Entry
C19586                      Compound                               

Name
Aflatoxin B1-exo-8,9-epoxide;
2,3-Epoxyaflatoxin B1
Formula
C17H12O7
Exact mass
328.0583
Mol weight
328.273
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.14.1       1.14.14.-       2.5.1.18        3.3.2.9
Other DBs
CAS: 42583-46-0
PubChem: 124490258
ChEBI: 30725
KCF data

ATOM        24
            1   C8y C    21.8011  -20.4200
            2   C8y C    23.0113  -19.7242
            3   C1y C    20.4741  -19.9757
            4   C8y C    21.8653  -21.8232
            5   C8y C    24.2157  -20.4258
            6   O7x O    23.0173  -18.3270
            7   C1y C    19.6439  -21.1156
            8   C1y C    19.6496  -18.8299
            9   C8x C    23.0113  -22.5188
            10  O2x O    20.4624  -22.2499
            11  C8y C    25.4317  -19.7359
            12  C8y C    24.2157  -21.8232
            13  C8y C    24.2332  -17.6372
            14  O2x O    18.3050  -20.6714
            15  C1y C    18.3109  -19.2624
            16  C8y C    25.4374  -18.3387
            17  C1x C    26.7530  -20.1745
            18  O2a O    25.4317  -22.5188
            19  O6a O    24.2215  -16.2340
            20  C5x C    26.7647  -17.9177
            21  C1x C    27.5773  -19.0461
            22  C1a C    26.6360  -21.8055
            23  O5x O    27.2031  -16.5848
            24  O2x O    18.6732  -17.9101
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 #Down
            29    8  24 1 #Down

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