KEGG   COMPOUND: C21281
Entry
C21281                      Compound                               
Name
Demethyl-4-deoxygadusol;
2,3,5-Trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
Formula
C7H10O5
Exact mass
174.0528
Mol weight
174.1513
Structure
Reaction
R11326
Enzyme
4.2.3.154
Other DBs
PubChem: 318172261
LinkDB
KCF data

ATOM        12
            1   C1x C    17.4284  -15.8185
            2   C2y C    17.4284  -17.2184
            3   C2y C    18.6407  -17.9183
            4   C5x C    19.8531  -17.2184
            5   C1x C    19.8531  -15.8185
            6   C1z C    18.6407  -15.1186
            7   C1b C    18.6407  -13.7190
            8   O1a O    19.8362  -13.0287
            9   O1a O    16.2161  -17.9183
            10  O1a O    18.6407  -19.3181
            11  O5x O    21.0841  -17.9293
            12  O1a O    17.6509  -14.1289
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     7   8 1
            9     2   9 1
            10    3  10 1
            11    4  11 2
            12    6  12 1 #Up

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