COMPOUND: C18256
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Entry
C18256 Compound
Name
cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Formula
C15H12O4
Exact mass
256.0736
Mol weight
256.2534
Structure
Mol file
KCF file
DB search
Reaction
R09165
R09166
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.-.- 1.14.12.-
Other DBs
PubChem:
103061438
ChEBI:
81607
LinkDB
All DBs
KCF data
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ATOM 19
1 C8x C 23.5468 -19.3526
2 C8x C 23.5468 -20.7708
3 C8x C 24.7750 -21.4799
4 C8x C 26.0033 -20.7708
5 C8y C 26.0033 -19.3526
6 C8y C 24.7750 -18.6434
7 C8y C 27.2315 -18.6434
8 C8y C 27.2315 -17.2252
9 C8x C 26.0033 -16.5161
10 C8x C 24.7750 -17.2252
11 C1z C 28.4596 -19.3526
12 C1y C 29.6879 -18.6434
13 C2x C 29.6879 -17.2252
14 C2x C 28.4596 -16.5161
15 C6a C 28.4697 -20.5674
16 O6a O 29.7119 -21.2711
17 O6a O 27.4170 -21.2699
18 O1a O 31.1643 -19.1239
19 O1a O 29.6720 -20.0526
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 7 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 8 14 1
17 11 15 1 #Down
18 15 16 2
19 15 17 1
20 12 18 1 #Up
21 11 19 1 #Up
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