COMPOUND: C18273
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Entry
C18273 Compound
Name
7,8-Dihydropyrene-8-carboxylate;
1,2-Dihydropyrene-1-carboxylate
Formula
C17H12O2
Exact mass
248.0837
Mol weight
248.27
Structure
Mol file
KCF file
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Reaction
R09202
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Other DBs
PubChem:
103061455
ChEBI:
81624
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KCF data
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ATOM 19
1 C8y C 27.2484 -19.3339
2 C8y C 28.4393 -18.6333
3 C8y C 26.0574 -18.6333
4 C2y C 27.2484 -20.7349
5 C8y C 28.4393 -17.2323
6 C8y C 29.7002 -19.3339
7 C1y C 24.8665 -19.3339
8 C8x C 26.0574 -17.2323
9 C2x C 26.0574 -21.4355
10 C2x C 28.4393 -21.4355
11 C8x C 27.2484 -16.5317
12 C8x C 29.7002 -16.5317
13 C2x C 29.7002 -20.7349
14 C8x C 30.8911 -18.6333
15 C1x C 24.8665 -20.7349
16 C8x C 30.8911 -17.2323
17 C6a C 23.6328 -18.6284
18 O6a O 22.4473 -19.3195
19 O6a O 23.6267 -17.2204
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 7 17 1
21 17 18 1
22 17 19 2
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