KEGG   COMPOUND: C19594
Entry
C19594                      Compound                               

Name
Aflatoxin-M1-8,9-epoxide
Formula
C17H12O8
Exact mass
344.0532
Mol weight
344.2724
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
CAS: 161596-64-1
PubChem: 124490265
ChEBI: 78577 82584
KCF data

ATOM        25
            1   C8y C    21.7886  -20.4556
            2   C8y C    22.9795  -19.7551
            3   C1z C    20.4574  -19.9652
            4   C8y C    21.7885  -21.8567
            5   C8y C    24.1705  -20.4556
            6   O7x O    22.9795  -18.3539
            7   C1y C    19.6168  -21.1562
            8   C1y C    19.6168  -18.8443
            9   C8x C    22.9795  -22.5573
            10  O2x O    20.3874  -22.2771
            11  C8y C    25.3615  -19.7551
            12  C8y C    24.1705  -21.8567
            13  C8y C    24.1705  -17.6533
            14  O2x O    18.2857  -20.6658
            15  C1y C    18.2857  -19.2646
            16  C8y C    25.3615  -18.3539
            17  O2a O    25.3615  -22.5573
            18  O6a O    24.1705  -16.2522
            19  C1a C    26.6225  -21.8567
            20  O1a O    21.2981  -18.8443
            21  C1x C    26.6940  -20.1880
            22  C1x C    27.5176  -19.0544
            23  C5x C    26.6940  -17.9210
            24  O5x O    27.1232  -16.6003
            25  O2x O    18.6480  -17.9123
BOND        30
            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   12  17 1
            17   13  18 2
            18   17  19 1
            19    7  10 1
            20    9  12 2
            21   13  16 1
            22   14  15 1
            23    3  20 1 #Down
            24   11  21 1
            25   21  22 1
            26   22  23 1
            27   16  23 1
            28   23  24 2
            29   15  25 1 #Down
            30    8  25 1 #Down

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