COMPOUND: C18251
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Entry
C18251 Compound
Name
Pyrene-4,5-dione;
4,5-Pyrenequinone
Formula
C16H8O2
Exact mass
232.0524
Mol weight
232.2335
Structure
Mol file
KCF file
DB search
Reaction
R09218
R09219
R09239
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.6.5.- 1.6.-.-
Other DBs
CAS:
6217-22-7
PubChem:
103061433
ChEBI:
81602
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All DBs
KCF data
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ATOM 18
1 C8x C 23.6038 -18.6312
2 C8x C 23.6038 -20.0321
3 C8x C 24.8169 -20.7325
4 C8y C 26.0301 -20.0321
5 C8y C 26.0301 -18.6312
6 C8y C 24.8169 -17.9308
7 C8y C 27.2432 -17.9308
8 C8y C 27.2432 -16.5300
9 C8x C 26.0301 -15.8296
10 C8x C 24.8169 -16.5300
11 C5x C 27.2432 -20.7325
12 C5x C 28.4563 -20.0321
13 C8y C 28.4563 -18.6312
14 C8x C 29.6695 -17.9308
15 C8x C 29.6695 -16.5300
16 C8x C 28.4563 -15.8296
17 O5x O 27.2432 -22.1334
18 O5x O 29.6546 -20.7240
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 6 10 2
12 4 11 1
13 11 12 1
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 11 17 2
21 12 18 2
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