COMPOUND: C18265
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Entry
C18265 Compound
Name
1-Hydroxypyrene-6,7-oxide
Formula
C16H10O2
Exact mass
234.0681
Mol weight
234.25
Structure
Mol file
KCF file
DB search
Reaction
R09171
R09172
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.-.-
Other DBs
PubChem:
103061447
ChEBI:
81616
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KCF data
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ATOM 18
1 C2x C 23.5876 -20.0880
2 C1y C 23.5876 -21.4878
3 C1y C 24.7775 -22.1178
4 C8y C 25.9674 -21.4878
5 C8y C 25.9674 -20.0880
6 C2y C 24.7775 -19.3880
7 C8y C 27.2273 -19.3880
8 C8y C 27.2273 -17.9182
9 C2x C 25.9674 -17.2183
10 C2x C 24.7775 -17.9182
11 C8x C 27.2273 -22.1178
12 C8x C 28.4171 -21.4878
13 C8y C 28.4171 -20.0880
14 C8x C 29.6070 -19.3880
15 C8x C 29.6070 -17.9182
16 C8y C 28.4171 -17.2183
17 O1a O 28.4171 -15.8184
18 O2x O 23.5876 -22.8877
BOND 22
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 6 10 1
12 4 11 1
13 11 12 2
14 12 13 1
15 7 13 1
16 13 14 2
17 14 15 1
18 15 16 2
19 8 16 1
20 16 17 1
21 2 18 1
22 3 18 1
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