KEGG   COMPOUND: C16472
Entry
C16472                      Compound                               

Name
3-Fluorocatechol
Formula
C6H5FO2
Exact mass
128.0274
Mol weight
128.1011
Structure
Reaction
Pathway
map00364  Fluorobenzoate degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.25        1.3.1.-         1.13.11.1
Other DBs
CAS: 363-52-0
PubChem: 47205768
ChEBI: 39876
ChEMBL: CHEMBL1230120
PDB-CCD: 3FA[PDBj]
NIKKAJI: J100.369K
KCF data

ATOM        9
            1   C8y C    26.3552  -22.3956
            2   C8y C    27.5769  -23.0865
            3   C8x C    25.1460  -23.0865
            4   O1a O    26.4187  -21.0011
            5   C8y C    27.5769  -24.4937
            6   C8x C    25.1460  -24.4937
            7   C8x C    26.3552  -25.2101
            8   X   F    28.7795  -25.1908
            9   O1a O    28.7826  -22.3832
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     5   7 1
            7     5   8 1
            8     6   7 2
            9     2   9 1

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