COMPOUND: C18262
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Entry
C18262 Compound
Name
1-Methoxypyrene-6,7-oxide
Formula
C17H12O2
Exact mass
248.0837
Mol weight
248.276
Structure
Mol file
KCF file
DB search
Reaction
R09178
R09179
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.-.-
Other DBs
PubChem:
103061444
ChEBI:
81613
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KCF data
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ATOM 19
1 C2x C 23.5900 -20.0900
2 C1y C 23.5900 -21.4900
3 C1y C 24.7800 -22.1200
4 C8y C 25.9700 -21.4900
5 C8y C 25.9700 -20.0900
6 C2y C 24.7800 -19.3900
7 C8y C 27.2300 -19.3900
8 C8y C 27.2300 -17.9200
9 C2x C 25.9700 -17.2200
10 C2x C 24.7800 -17.9200
11 C8x C 27.2300 -22.1200
12 C8x C 28.4200 -21.4900
13 C8y C 28.4200 -20.0900
14 C8x C 29.6100 -19.3900
15 C8x C 29.6100 -17.9200
16 C8y C 28.4200 -17.2200
17 O2a O 28.4200 -15.8200
18 C1a C 29.6100 -15.1200
19 O2x O 23.5900 -22.8900
BOND 23
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 17 18 1
22 2 19 1
23 3 19 1
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