COMPOUND: C15591
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Entry
C15591 Compound
Name
(6R)-2-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-2,4-cyclohexadien-1-one;
Reduced-(S)-usnate
Formula
C18H18O7
Exact mass
346.1053
Mol weight
346.3313
Structure
Mol file
KCF file
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Reaction
R07345
Enzyme
1.1.1.199
Other DBs
PubChem:
17396583
ChEBI:
49098
NIKKAJI:
J2.795.029I
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KCF data
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ATOM 25
1 C1z C 26.2329 -15.8489
2 C8y C 23.9220 -15.8431
3 C2x C 26.2269 -17.1911
4 C5x C 27.3998 -15.1837
5 C1a C 26.1978 -14.4252
6 C8y C 23.9162 -17.1852
7 C8y C 22.7667 -15.1720
8 O1a O 25.0774 -17.8621
9 C2x C 27.3940 -17.8621
10 C2y C 28.5552 -15.8606
11 O5x O 27.3357 -13.7891
12 C8y C 22.7667 -17.8504
13 C8y C 21.5996 -15.8431
14 O1a O 22.7667 -13.8242
15 C2y C 28.5552 -17.1969
16 C5a C 29.7689 -15.1662
17 C8y C 21.5996 -17.1852
18 C5a C 22.7667 -19.2509
19 C1a C 20.3918 -15.1429
20 O1a O 29.7631 -17.8971
21 C1a C 30.9767 -15.8665
22 O5a O 29.7748 -13.7717
23 O1a O 20.3918 -17.8795
24 C1a C 21.5589 -19.9511
25 O5a O 23.9746 -19.9452
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 9 2
8 4 10 1
9 4 11 2
10 6 12 1
11 7 13 2
12 7 14 1
13 9 15 1
14 10 16 1
15 12 17 2
16 12 18 1
17 13 19 1
18 15 20 1
19 16 21 1
20 16 22 2
21 17 23 1
22 18 24 1
23 18 25 2
24 6 8 1
25 10 15 2
26 13 17 1
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