KEGG   COMPOUND: C13622
Entry
C13622                      Compound                               

Name
Dibromobisphenol A;
3,3'-Dibromobisphenol A
Formula
C15H14Br2O2
Exact mass
383.9361
Mol weight
386.0785
Structure
Reaction
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.97.1.-
Other DBs
CAS: 29426-78-6
PubChem: 586240
NIKKAJI: J642.606I
LinkDB
KCF data

ATOM        19
            1   C8y C    25.2336  -15.8982
            2   C8y C    25.2255  -17.2982
            3   C8x C    26.4368  -18.0052
            4   C8x C    27.6491  -17.3121
            5   C8y C    27.6571  -15.9121
            6   C8x C    26.4529  -15.2052
            7   O1a O    24.0094  -17.9919
            8   C1d C    28.8741  -15.2201
            9   C8y C    30.0821  -15.9279
            10  C1a C    27.6530  -14.5148
            11  C1a C    30.0781  -14.5079
            12  C8x C    30.0688  -17.3213
            13  C8y C    31.2767  -18.0291
            14  C8y C    32.4936  -17.3371
            15  C8x C    32.5026  -15.9371
            16  C8x C    31.2949  -15.2292
            17  O1a O    33.7015  -18.0449
            18  X   Br   24.0255  -15.1907
            19  X   Br   31.2676  -19.4291
BOND        20
            1     3   4 2
            2     8  10 1
            3     4   5 1
            4     8  11 1
            5     5   6 2
            6     6   1 1
            7     2   7 1
            8     1   2 2
            9     9  12 2
            10   12  13 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16   9 1
            15    5   8 1
            16   14  17 1
            17    2   3 1
            18    1  18 1
            19    8   9 1
            20   13  19 1

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