COMPOUND: C14582
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Entry
C14582 Compound
Name
2,4-Dimethylphenol;
2,4-Xylenol;
1-Hydroxy-2,4-dimethylbenzene
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Mol file
KCF file
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Reaction
R11194
Pathway
map00623
Toluene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.17.9.1
Other DBs
CAS:
105-67-9
PubChem:
17395582
ChEBI:
34241
PDB-CCD:
N0D
[
PDBj
]
NIKKAJI:
J3.606D
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KCF data
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ATOM 9
1 C8x C 16.8000 -16.8700
2 C8x C 16.8000 -15.4700
3 C8y C 17.9900 -14.7700
4 C8x C 19.1800 -15.4700
5 C8y C 19.1800 -16.8700
6 C8y C 17.9900 -17.5700
7 O1a O 17.9900 -18.9700
8 C1a C 20.4400 -17.6400
9 C1a C 17.9900 -13.3700
BOND 9
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 5 8 1
9 3 9 1
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