COMPOUND: C06728
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Entry
C06728 Compound
Name
3-Ethylcatechol;
2,3-Dihydroxyethylbenzene;
3-Ethyl-benzene-1,2-diol
Formula
C8H10O2
Exact mass
138.0681
Mol weight
138.16
Structure
Mol file
KCF file
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Reaction
R05313
R05416
Pathway
map00642
Ethylbenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.3.1.66
1.13.11.-
Other DBs
CAS:
933-99-3
PubChem:
8950
ChEBI:
16572
NIKKAJI:
J801.879K
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KCF data
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ATOM 10
1 C8y C 28.2628 -16.5964
2 C8y C 29.4753 -17.2843
3 C8x C 27.0560 -17.3076
4 C1b C 28.2452 -15.1972
5 C8y C 29.4927 -18.6834
6 O1a O 30.6821 -16.5730
7 C8x C 27.0618 -18.7067
8 C1a C 27.0327 -14.4919
9 C8x C 28.2861 -19.3945
10 O1a O 30.7111 -19.3713
BOND 10
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1
10 7 9 2
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