COMPOUND: C18249
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Entry
C18249 Compound
Name
cis-4,5-Dihydroxy-4,5-dihydropyrene;
cis-4,5-Dihydro-4,5-pyrenediol
Formula
C16H12O2
Exact mass
236.0837
Mol weight
236.2653
Structure
Mol file
KCF file
DB search
Reaction
R09161
R09162
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.29
1.14.-.-
Other DBs
PubChem:
103061431
ChEBI:
81600
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KCF data
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ATOM 18
1 C8x C 23.5900 -19.3200
2 C8x C 23.5900 -20.7200
3 C8x C 24.8024 -21.4200
4 C8y C 26.0149 -20.7200
5 C8y C 26.0149 -19.3200
6 C8y C 24.8024 -18.6200
7 C8y C 27.2273 -18.6200
8 C8y C 27.2273 -17.2200
9 C8x C 26.0149 -16.5200
10 C8x C 24.8024 -17.2200
11 C1y C 27.2273 -21.4200
12 C1y C 28.4397 -20.7200
13 C8y C 28.4397 -19.3200
14 C8x C 29.6522 -18.6200
15 C8x C 29.6522 -17.2200
16 C8x C 28.4397 -16.5200
17 O1a O 27.2273 -22.8200
18 O1a O 29.6373 -21.4115
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 1 #Down
21 12 18 1 #Down
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