COMPOUND: C18278
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Entry
C18278 Compound
Name
9,10-Dihydroxybenzo[a]pyrene;
Benzo[a]pyrene-9,10-diol
Formula
C20H12O2
Exact mass
284.0837
Mol weight
284.3081
Structure
Mol file
KCF file
DB search
Reaction
R09183
R09184
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.29
1.13.11.-
Other DBs
CAS:
57303-98-7
PubChem:
103061460
ChEBI:
81629
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KCF data
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ATOM 22
1 C8y C 27.8244 -19.3439
2 C8y C 29.0159 -18.6431
3 C8y C 26.6330 -18.6431
4 C8y C 27.8244 -20.7457
5 C8y C 29.0159 -17.2413
6 C8y C 30.2775 -19.3439
7 C8y C 25.4415 -19.3439
8 C8x C 26.6330 -17.2413
9 C8x C 26.6330 -21.4465
10 C8x C 29.0159 -21.4465
11 C8x C 27.8244 -16.5405
12 C8x C 30.2775 -16.5405
13 C8x C 30.2775 -20.7457
14 C8x C 31.4690 -18.6431
15 C8y C 25.4415 -20.7457
16 C8y C 24.1799 -18.6431
17 C8x C 31.4690 -17.2413
18 C8x C 24.2500 -21.4465
19 C8y C 22.9885 -19.3439
20 C8x C 22.9885 -20.7457
21 O1a O 21.7970 -18.6431
22 O1a O 24.1799 -17.2413
BOND 26
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 2
15 7 16 1
16 12 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 8 11 2
21 9 15 1
22 10 13 2
23 14 17 2
24 19 20 1
25 19 21 1
26 16 22 1
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