KEGG   COMPOUND: C19588Help
Entry
C19588                      Compound                               

Name
Aflatoxin B1 diol;
Aflatoxin B1-2,3-dihydrodiol
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
CAS: 50668-79-6
PubChem: 124490260
ChEBI: 82580
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    21.7606  -20.4476
            2   C8y C    22.9724  -19.7509
            3   C1y C    20.4318  -20.0027
            4   C8y C    21.8249  -21.8527
            5   C8y C    24.1785  -20.4534
            6   O7x O    22.9785  -18.3518
            7   C1y C    19.6005  -21.1442
            8   C1y C    19.6062  -18.8554
            9   C8x C    22.9724  -22.5493
            10  O2x O    20.4201  -22.2800
            11  C8y C    25.3961  -19.7626
            12  C8y C    24.1785  -21.8527
            13  C8y C    24.1960  -17.6611
            14  O2x O    18.2598  -20.6994
            15  C1y C    18.2657  -19.2885
            16  C8y C    25.4018  -18.3635
            17  C1x C    26.7192  -20.2018
            18  O2a O    25.3961  -22.5493
            19  O6a O    24.1843  -16.2560
            20  C5x C    26.7309  -17.9420
            21  C1x C    27.5446  -19.0719
            22  C1a C    26.6021  -21.8350
            23  O5x O    27.1699  -16.6072
            24  O1a O    17.1532  -18.4757
            25  O1a O    20.0501  -17.5043
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  25 1 #Down

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