COMPOUND: C07733
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Entry
C07733 Compound
Name
2,2',3-Trihydroxydiphenylether
Formula
C12H10O4
Exact mass
218.0579
Mol weight
218.20
Structure
Mol file
KCF file
DB search
Reaction
R05413
R05439
Pathway
map00621
Dioxin degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.13.11.- 1.14.12.-
Other DBs
PubChem:
9935
ChEBI:
27381
NIKKAJI:
J1.068.226F
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KCF data
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ATOM 16
1 C8y C 30.0456 -16.2376
2 O2a O 28.8400 -15.5412
3 C8y C 30.0456 -17.6424
4 C8x C 31.2632 -15.5412
5 C8y C 27.6284 -16.2376
6 C8y C 31.2632 -18.3388
7 O1a O 28.8342 -18.3388
8 C8x C 32.4747 -16.2376
9 C8y C 26.4168 -15.5412
10 C8x C 27.6284 -17.6424
11 C8x C 32.4747 -17.6424
12 O1a O 31.2632 -19.7378
13 C8x C 25.2053 -16.2376
14 O1a O 26.4228 -14.1365
15 C8x C 26.4168 -18.3388
16 C8x C 25.2053 -17.6424
BOND 17
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 2
11 6 12 1
12 9 13 1
13 9 14 1
14 10 15 2
15 13 16 2
16 8 11 1
17 15 16 1
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