COMPOUND: C04815
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Entry
C04815 Compound
Name
5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one;
5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one
Formula
C7H10O4
Exact mass
158.0579
Mol weight
158.1519
Structure
Mol file
KCF file
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Reaction
R04367
Enzyme
4.3.3.1
Other DBs
PubChem:
7377
ChEBI:
16694
NIKKAJI:
J2.754.660I
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KCF data
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ATOM 11
1 C1y C 24.5662 -18.5895
2 C1y C 24.5662 -17.1823
3 C1x C 25.7661 -19.2990
4 C1b C 23.3535 -19.2757
5 C5x C 25.7661 -16.4845
6 O1a O 23.3535 -16.4845
7 C2x C 26.9903 -18.5895
8 O1a O 22.1465 -18.5779
9 C2y C 26.9903 -17.1823
10 O5x O 25.7604 -15.0889
11 O1a O 28.1973 -16.4787
BOND 11
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 9 11 1
11 7 9 2
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