COMPOUND: C23049
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Entry
C23049 Compound
Name
Polyporic acid;
2,5-Dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
Formula
C18H12O4
Exact mass
292.0736
Mol weight
292.28
Structure
Mol file
KCF file
DB search
Reaction
R13509
R13511
R13613
Pathway
map00360
Phenylalanine metabolism
Enzyme
1.14.14.196
6.4.1.11
Other DBs
CAS:
548-59-4
PubChem:
513131700
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KCF data
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ATOM 22
1 C2y C 17.4279 -15.2577
2 C2y C 17.4279 -16.6575
3 C5x C 18.6402 -17.3574
4 C2y C 19.8525 -16.6575
5 C2y C 19.8525 -15.2577
6 C5x C 18.6402 -14.5578
7 C8y C 16.2157 -17.3574
8 O1a O 16.2157 -14.5578
9 O5x O 18.6402 -13.1582
10 O1a O 21.0834 -17.3684
11 O5x O 18.6402 -18.7570
12 C8y C 21.0834 -14.5468
13 C8x C 15.0204 -16.6671
14 C8x C 13.8081 -17.3669
15 C8x C 13.8079 -18.7667
16 C8x C 15.0032 -19.4570
17 C8x C 16.2155 -18.7572
18 C8x C 22.2884 -15.2424
19 C8x C 23.5005 -14.5424
20 C8x C 23.5005 -13.1426
21 C8x C 22.2955 -12.4470
22 C8x C 21.0833 -13.1470
BOND 24
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 2 7 1
8 1 8 1
9 6 9 2
10 4 10 1
11 3 11 2
12 5 12 1
13 7 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 7 17 1
19 12 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 12 22 1
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