KEGG   COMPOUND: C19604
Entry
C19604                      Compound                               

Name
7,12-Dimethylbenz[a]anthracene 5,6-oxide;
DMBA-5,6-epoxide
Formula
C20H16O
Exact mass
272.1201
Mol weight
272.3404
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.14.1       3.3.2.9
Other DBs
CAS: 39834-38-3
PubChem: 124490273
ChEBI: 82590
KCF data

ATOM        21
            1   C8x C    18.6900  -19.0401
            2   C8x C    18.6900  -20.4401
            3   C8x C    19.9024  -21.1401
            4   C8y C    21.1149  -20.4401
            5   C8y C    21.1149  -19.0401
            6   C8x C    19.9024  -18.3401
            7   C8y C    22.3273  -21.1401
            8   C8y C    23.5397  -20.4401
            9   C8y C    23.5397  -19.0401
            10  C8y C    22.3273  -18.3401
            11  C1y C    24.7523  -21.1401
            12  C1y C    25.9647  -20.4401
            13  C8y C    25.9647  -19.0401
            14  C8y C    24.7523  -18.3401
            15  C8x C    27.1771  -18.3401
            16  C8x C    27.1771  -16.9401
            17  C8x C    25.9647  -16.2401
            18  C8x C    24.7523  -16.9401
            19  C1a C    22.3273  -16.9401
            20  C1a C    22.3273  -22.5401
            21  O2x O    25.9647  -21.8401
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   14  18 1
            22   10  19 1
            23    7  20 1
            24   11  21 1
            25   12  21 1

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