COMPOUND: C06727
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Entry
C06727 Compound
Name
cis-1,2-Dihydro-3-ethylcatechol;
cis-2,3-Dihydroxy-2,3-dihydroethylbenzene;
cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol
Formula
C8H12O2
Exact mass
140.0837
Mol weight
140.1797
Structure
Mol file
KCF file
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Reaction
R05313
R05440
Pathway
map00642
Ethylbenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.3.1.66
1.14.12.-
Other DBs
CAS:
66008-19-3
PubChem:
8949
ChEBI:
16843
NIKKAJI:
J1.327.215H
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KCF data
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ATOM 10
1 C2y C 28.2639 -16.5790
2 C1y C 29.4705 -17.2844
3 C2x C 27.0515 -17.2727
4 C1b C 28.2698 -15.1800
5 C1y C 29.4705 -18.6834
6 O1a O 30.6888 -16.5907
7 C2x C 27.0399 -18.6775
8 C1a C 27.0690 -14.4573
9 C2x C 28.2522 -19.3770
10 O1a O 30.6772 -19.3886
BOND 10
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 9 2
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