COMPOUND: C18255
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Entry
C18255 Compound
Name
trans-4,5-Dihydroxy-4,5-dihydropyrene;
trans-4,5-Pyrenedihydrodiol
Formula
C16H12O2
Exact mass
236.0837
Mol weight
236.2653
Structure
Mol file
KCF file
DB search
Reaction
R09168
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
3.3.2.-
Other DBs
CAS:
56183-12-1
PubChem:
103061437
ChEBI:
81606
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KCF data
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ATOM 18
1 C8x C 23.6037 -18.6312
2 C8x C 23.6037 -20.0320
3 C8x C 24.8168 -20.7324
4 C8y C 26.0300 -20.0320
5 C8y C 26.0300 -18.6312
6 C8y C 24.8168 -17.9308
7 C8y C 27.2431 -17.9308
8 C8y C 27.2431 -16.5300
9 C8x C 26.0300 -15.8296
10 C8x C 24.8168 -16.5300
11 C1y C 27.2431 -20.7324
12 C1y C 28.4562 -20.0320
13 C8y C 28.4562 -18.6312
14 C8x C 29.6694 -17.9308
15 C8x C 29.6694 -16.5300
16 C8x C 28.4562 -15.8296
17 O1a O 27.2431 -22.1333
18 O1a O 29.6545 -20.7239
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 #Up
21 12 18 1 #Down
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