KEGG   COMPOUND: C13623Help
Entry
C13623                      Compound                               

Name
Monobromobisphenol A;
3-Monobromobisphenol A
Formula
C15H15BrO2
Exact mass
306.0255
Mol weight
307.1824
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.97.1.-
Other DBs
CAS: 6073-11-6
PubChem: 586241
ChEBI: 33220
NIKKAJI: J1.508.770F
KCF data Show

ATOM        18
            1   C8y C    25.2188  -16.5977
            2   C8y C    25.2106  -17.9976
            3   C8x C    26.4220  -18.7045
            4   C8x C    27.6343  -18.0115
            5   C8y C    27.6423  -16.6116
            6   C8x C    26.4381  -15.9047
            7   O1a O    23.9946  -18.6913
            8   C1d C    28.8593  -15.9194
            9   C8y C    30.0672  -16.6273
            10  C1a C    27.6382  -15.2143
            11  C1a C    30.0633  -15.2072
            12  C8x C    30.1240  -18.0208
            13  C8x C    31.2619  -18.7286
            14  C8y C    32.4788  -18.0364
            15  C8x C    32.4878  -16.6364
            16  C8x C    31.2801  -15.9286
            17  O1a O    33.6867  -18.7442
            18  X   Br   24.0107  -15.8901
BOND        19
            1     8   9 1
            2     3   4 2
            3     8  10 1
            4     4   5 1
            5     8  11 1
            6     5   6 2
            7     6   1 1
            8     2   7 1
            9     1   2 2
            10    9  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   16   9 1
            16    5   8 1
            17   14  17 1
            18    2   3 1
            19    1  18 1

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