COMPOUND: C18274
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Entry
C18274 Compound
Name
7,8-Dihydropyrene-7-carboxylate;
1,2-Dihydropyrene-2-carboxylate
Formula
C17H12O2
Exact mass
248.0837
Mol weight
248.276
Structure
Mol file
KCF file
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Reaction
R09203
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Other DBs
PubChem:
103061456
ChEBI:
81625
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KCF data
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ATOM 19
1 C8y C 27.2300 -18.6200
2 C8y C 28.4200 -17.9200
3 C8y C 26.0400 -17.9200
4 C2y C 27.2300 -20.0200
5 C8y C 28.4200 -16.5200
6 C8y C 29.6800 -18.6200
7 C1x C 24.8500 -18.6200
8 C8x C 26.0400 -16.5200
9 C2x C 26.0400 -20.7200
10 C2x C 28.4200 -20.7200
11 C8x C 27.2300 -15.8200
12 C8x C 29.6800 -15.8200
13 C2x C 29.6800 -20.0200
14 C8x C 30.8700 -17.9200
15 C1y C 24.8500 -20.0200
16 C8x C 30.8700 -16.5200
17 C6a C 23.5900 -20.7200
18 O6a O 22.4000 -19.9500
19 O6a O 23.5900 -22.1200
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 6 14 1
14 7 15 1
15 12 16 1
16 8 11 2
17 9 15 1
18 10 13 2
19 14 16 2
20 15 17 1
21 17 18 2
22 17 19 1
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