COMPOUND: C18284
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Entry
C18284 Compound
Name
Benzo[a]pyrene-cis-11,12-dihydrodiol
Formula
C20H14O2
Exact mass
286.0994
Mol weight
286.324
Structure
Mol file
KCF file
DB search
Reaction
R09209
R09216
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.-.- 1.14.12.-
Other DBs
CAS:
64283-13-2
PubChem:
103061466
ChEBI:
81635
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KCF data
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ATOM 22
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 O1a O 24.8237 -16.5267
22 O1a O 27.2486 -15.1201
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 #Down
26 11 22 1 #Down
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