COMPOUND: C18277
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Entry
C18277 Compound
Name
4,5-Chrysenedicarboxylate
Formula
C20H12O4
Exact mass
316.0736
Mol weight
316.3069
Structure
Mol file
KCF file
DB search
Reaction
R09206
R09207
R09208
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.13.11.- 4.1.1.-
Other DBs
PubChem:
103061459
ChEBI:
81628
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KCF data
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ATOM 24
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 27.8244 -16.5405
11 C8x C 30.2775 -16.5405
12 C8x C 31.4690 -18.6431
13 C8y C 25.4415 -20.7457
14 C8x C 24.1799 -18.6431
15 C8x C 31.4690 -17.2413
16 C8x C 24.2500 -21.4465
17 C8x C 22.9885 -19.3439
18 C8x C 22.9885 -20.7457
19 C6a C 30.2950 -20.7199
20 O6a O 31.6473 -21.0823
21 C6a C 28.3144 -22.0057
22 O6a O 27.3680 -22.8543
23 O6a O 29.7701 -22.6141
24 O6a O 29.1991 -21.5720
BOND 27
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 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 7 14 1
14 11 15 1
15 13 16 1
16 14 17 2
17 16 18 2
18 8 10 2
19 9 13 1
20 12 15 2
21 17 18 1
22 6 19 1
23 19 20 1
24 4 21 1
25 21 22 2
26 21 23 1
27 19 24 2
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