KEGG   COMPOUND: C21282
Entry
C21282                      Compound                               
Name
2-epi-Valiolone;
(2S,3S,4S,5S)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
Formula
C7H12O6
Exact mass
192.0634
Mol weight
192.17
Structure
Reaction
R11327
Enzyme
4.2.3.155
Other DBs
PubChem: 318172262
LinkDB
KCF data

ATOM        13
            1   C1y C    17.4282  -15.8183
            2   C1y C    17.4282  -17.2182
            3   C1y C    18.6404  -17.9181
            4   C5x C    19.8528  -17.2182
            5   C1x C    19.8528  -15.8183
            6   C1z C    18.6404  -15.1184
            7   C1b C    18.6404  -13.7188
            8   O1a O    19.8359  -13.0285
            9   O1a O    16.2159  -17.9181
            10  O1a O    18.6404  -19.3178
            11  O1a O    16.2159  -15.1184
            12  O5x O    21.0838  -17.9291
            13  O1a O    17.6507  -14.1287
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1 #Up
            11    1  11 1 #Down
            12    4  12 2
            13    6  13 1 #Down

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