KEGG   COMPOUND: C22846
Entry
C22846                      Compound                               
Name
Gadusol;
(4R,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one
Formula
C8H12O6
Exact mass
204.0634
Mol weight
204.1773
Structure
Reaction
R13236
Enzyme
2.1.1.391
LinkDB
KCF data

ATOM        14
            1   C1y C    27.9984  -10.1485
            2   C2y C    27.9984  -11.5484
            3   C2y C    29.2107  -12.2483
            4   C5x C    30.4231  -11.5484
            5   C1x C    30.4231  -10.1485
            6   C1z C    29.2107   -9.4486
            7   C1b C    29.2107   -8.0489
            8   O1a O    30.4062   -7.3586
            9   O1a O    26.7861  -12.2483
            10  O2a O    29.2107  -13.6480
            11  O1a O    26.7861   -9.4486
            12  O5x O    31.6541  -12.2593
            13  O1a O    28.2209   -8.4588
            14  C1a C    27.9819  -14.3575
BOND        14
            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    1  11 1 #Down
            12    4  12 2
            13    6  13 1 #Up
            14   10  14 1

» Japanese version

DBGET integrated database retrieval system