COMPOUND: C00779
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Entry
C00779 Compound
Name
Scytalone;
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone
Formula
C10H10O4
Exact mass
194.0579
Mol weight
194.184
Structure
Mol file
KCF file
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Reaction
R02906
R02907
Enzyme
1.1.1.252
4.2.1.94
Other DBs
CAS:
49598-85-8
PubChem:
4040
ChEBI:
16945
NIKKAJI:
J20.775F
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KCF data
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ATOM 14
1 C8y C 22.1137 -17.5587
2 C8y C 22.1137 -16.1565
3 C8x C 20.8961 -18.2663
4 C1x C 23.3374 -18.2663
5 C8y C 20.8961 -15.4681
6 C5x C 23.3311 -15.4489
7 C8y C 19.6979 -17.5587
8 C1y C 24.5613 -17.5652
9 C8x C 19.6979 -16.1565
10 O1a O 20.8961 -14.0784
11 C1x C 24.5548 -16.1500
12 O5x O 23.3247 -14.0594
13 O1a O 18.5631 -18.1771
14 O1a O 25.8359 -18.3299
BOND 15
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 8 14 1 #Up
14 7 9 1
15 8 11 1
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