COMPOUND: C01066
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Entry
C01066 Compound
Name
Cyclohexane-1,3-dione;
1,3-Cyclohexanedione;
Dihydroresorcinol
Formula
C6H8O2
Exact mass
112.0524
Mol weight
112.1265
Structure
Mol file
KCF file
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Reaction
R03211
R03212
Enzyme
1.1.99.26
3.7.1.10
Other DBs
CAS:
504-02-9
PubChem:
4305
ChEBI:
17766
3DMET:
B00234
NIKKAJI:
J6.214F
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KCF data
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ATOM 8
1 C1x C 22.7551 -16.1289
2 C5x C 22.7551 -17.5366
3 C5x C 21.5329 -15.4313
4 C1x C 21.5329 -18.2470
5 O5x O 23.9581 -18.2277
6 C1x C 20.3298 -16.1289
7 O5x O 21.5264 -14.1129
8 C1x C 20.3298 -17.5366
BOND 8
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1
6 3 7 2
7 4 8 1
8 6 8 1
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