COMPOUND: C18286
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Entry
C18286 Compound
Name
Benzo[a]pyrene-11,12-epoxide
Formula
C20H12O
Exact mass
268.0888
Mol weight
268.31
Structure
Mol file
KCF file
DB search
Reaction
R09210
R09211
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.-.- 3.3.2.-
Other DBs
CAS:
60448-19-3
PubChem:
103061468
ChEBI:
81637
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All DBs
KCF data
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ATOM 21
1 C8y C 27.2484 -19.3339
2 C8y C 28.4393 -18.6333
3 C8y C 26.0574 -18.6333
4 C8y C 27.2484 -20.7349
5 C8y C 28.4393 -17.2323
6 C8y C 29.7002 -19.3339
7 C8y C 24.8665 -19.3339
8 C1y C 26.0574 -17.2323
9 C8x C 26.0574 -21.4355
10 C8x C 28.4393 -21.4355
11 C1y C 27.2484 -16.5317
12 C8x C 29.7002 -16.5317
13 C8x C 29.7002 -20.7349
14 C8x C 30.8911 -18.6333
15 C8y C 24.8665 -20.7349
16 C8x C 23.6056 -18.6333
17 C8x C 30.8911 -17.2323
18 C8x C 23.6756 -21.4355
19 C8x C 22.4147 -19.3339
20 C8x C 22.4147 -20.7349
21 O2x O 26.0574 -15.8323
BOND 26
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 7 16 1
16 12 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 8 11 1
21 9 15 2
22 10 13 1
23 14 17 2
24 19 20 1
25 8 21 1
26 11 21 1
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