COMPOUND: C06891
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Entry
C06891 Compound
Name
D-2,3-Diketo 4-deoxy-epi-inositol;
DKDI
Formula
C6H8O5
Exact mass
160.0372
Mol weight
160.1247
Structure
Mol file
KCF file
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Reaction
R05659
Other DBs
PubChem:
9108
ChEBI:
4077
3DMET:
B02097
NIKKAJI:
J2.764.099K
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KCF data
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ATOM 11
1 C1y C 22.9450 -19.0965
2 C1y C 22.9450 -20.4952
3 C5x C 24.1623 -18.3941
4 O1a O 21.7335 -18.3941
5 C1y C 24.1623 -21.1976
6 O1a O 21.7335 -21.1976
7 C2y C 25.3681 -19.0965
8 O5x O 24.1623 -16.9952
9 C2x C 25.3681 -20.4952
10 O1a O 24.1623 -22.5963
11 O1a O 26.5854 -18.3999
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 2
8 5 9 1
9 5 10 1 #Up
10 7 11 1
11 7 9 2
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