KEGG   COMPOUND: C19595
Entry
C19595                      Compound                               

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
Other DBs
CAS: 141899-13-0
PubChem: 124490266
ChEBI: 78586 82585
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

» Japanese version

DBGET integrated database retrieval system