COMPOUND: C14220
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Entry
C14220 Compound
Name
4,4'-Dihydroxybenzophenone
Formula
C13H10O3
Exact mass
214.063
Mol weight
214.2167
Structure
Mol file
KCF file
DB search
Reaction
R09103
R09104
Pathway
map00363
Bisphenol degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.1.-.- 1.14.-.-
Other DBs
CAS:
611-99-4
PubChem:
7847030
ChEBI:
34365
PDB-CCD:
DBE
[
PDBj
]
NIKKAJI:
J39.681H
LinkDB
All DBs
KCF data
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ATOM 16
1 C8y C 32.5057 -18.3445
2 C8x C 32.5120 -16.9449
3 C8x C 31.2905 -19.0386
4 C8x C 31.3032 -16.2397
5 C8x C 30.0818 -18.3334
6 C8x C 26.4427 -19.0166
7 C8x C 27.6579 -18.3224
8 C8x C 25.2405 -16.9120
9 C8y C 30.0882 -16.9340
10 C8y C 25.3041 -18.3113
11 C8y C 27.6643 -16.9230
12 C8x C 26.4555 -16.2177
13 C5a C 28.8794 -16.2287
14 O1a O 24.0189 -19.0056
15 O5a O 28.8858 -14.8293
16 O1a O 33.7226 -19.0546
BOND 17
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 9 2
6 5 9 1
7 6 7 2
8 6 10 1
9 7 11 1
10 8 10 2
11 8 12 1
12 9 13 1
13 10 14 1
14 11 12 2
15 11 13 1
16 13 15 2
17 1 16 1
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