KEGG   COMPOUND: C13637
Entry
C13637                      Compound                               
Name
4-Ethylphenol;
p-Ethylphenol
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Comment
2-Ethylphenol [CPD:C14385]
3-Ethylphenol [CPD:C14386]
Reaction
Pathway
map00363  Bisphenol degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.-
Other DBs
CAS: 123-07-9
PubChem: 586253
ChEBI: 49584
KNApSAcK: C00029528
PDB-CCD: ETY[PDBj]
NIKKAJI: J2.496A
KCF data

ATOM        9
            1   C8x C    27.0111  -16.2492
            2   C8y C    27.0111  -17.6511
            3   C8x C    28.2289  -18.3554
            4   C8x C    29.4326  -17.6511
            5   C8y C    29.4326  -16.2492
            6   C8x C    28.2289  -15.5518
            7   O1a O    25.7964  -18.3561
            8   C1b C    30.6482  -15.5526
            9   C1a C    31.8538  -16.2541
BOND        9
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   1 1
            5     2   7 1
            6     1   2 2
            7     5   8 1
            8     2   3 1
            9     8   9 1

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