KEGG   COMPOUND: C13626Help
Entry
C13626                      Compound                               

Name
5-Hydroxybisphenol A;
5-Hydroxybisphenol;
BPAcatechol
Formula
C15H16O3
Exact mass
244.1099
Mol weight
244.2857
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 79371-66-7
PubChem: 586244
ChEBI: 31133
NIKKAJI: J1.523.571C
KCF data Show

ATOM        18
            1   C8x C    25.2552  -15.8846
            2   C8y C    25.2472  -17.2844
            3   C8y C    26.4585  -17.9914
            4   C8x C    27.6708  -17.2984
            5   C8y C    27.6788  -15.8985
            6   C8x C    26.4747  -15.1916
            7   O1a O    24.0312  -17.9782
            8   C1d C    28.8957  -15.2063
            9   C8y C    30.1036  -15.9141
            10  C1a C    27.6746  -14.5012
            11  C1a C    30.0999  -14.4941
            12  C8x C    30.0904  -17.3077
            13  C8x C    31.2983  -18.0155
            14  C8y C    32.5153  -17.3233
            15  C8x C    32.5243  -15.9233
            16  C8x C    31.3164  -15.2155
            17  O1a O    33.7231  -18.0311
            18  O1a O    26.4523  -19.3914
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    3  18 1

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