COMPOUND: C18279
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Entry
C18279 Compound
Name
4,5-Dihydroxybenzo[a]pyrene;
Benzo[a]pyrene-4,5-diol
Formula
C20H12O2
Exact mass
284.0837
Mol weight
284.3081
Structure
Mol file
KCF file
DB search
Reaction
R09205
R09206
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.-.- 1.13.11.-
Other DBs
CAS:
57304-00-4
PubChem:
103061461
ChEBI:
81630
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KCF data
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ATOM 22
1 C8y C 27.2089 -18.6555
2 C8y C 28.4011 -17.9541
3 C8y C 26.0165 -17.9541
4 C8y C 27.2089 -20.0581
5 C8y C 28.4011 -16.5516
6 C8y C 29.6634 -18.6555
7 C8y C 24.8242 -18.6555
8 C8x C 26.0165 -16.5516
9 C8x C 26.0165 -20.7594
10 C8y C 28.4011 -20.7594
11 C8x C 27.2089 -15.8502
12 C8x C 29.6634 -15.8502
13 C8y C 29.6634 -20.0581
14 C8x C 30.8556 -17.9541
15 C8y C 24.8242 -20.0581
16 C8x C 23.5619 -17.9541
17 C8x C 30.8556 -16.5516
18 C8x C 23.6320 -20.7594
19 C8x C 22.3697 -18.6555
20 C8x C 22.3697 -20.0581
21 O1a O 28.3838 -22.1455
22 O1a O 30.8498 -20.7561
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 10 21 1
26 13 22 1
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