KEGG   COMPOUND: C04251
Entry
C04251                      Compound                               

Name
Deoxylimononic acid D-ring-lactone
Formula
C26H34O9
Exact mass
490.2203
Mol weight
490.5428
Structure
Reaction
Enzyme
Other DBs
PubChem: 6916
ChEBI: 15787
NIKKAJI: J2.747.872G
KCF data

ATOM        35
            1   C2y C    28.4809  -21.6504
            2   C2y C    27.2627  -22.3646
            3   C1x C    29.7119  -22.3583
            4   C1z C    28.4809  -20.2409
            5   C1y C    26.0446  -21.6695
            6   C7x C    30.9363  -21.6567
            7   C1y C    29.6992  -19.5266
            8   C1x C    27.2436  -19.5522
            9   C1a C    28.4745  -18.8505
            10  C1z C    24.8456  -22.3646
            11  C1x C    26.0255  -20.2664
            12  C1b C    26.2561  -24.3346
            13  O7x O    30.9301  -20.2344
            14  O6a O    32.1419  -22.3519
            15  C8y C    29.6927  -18.1363
            16  C1y C    24.8456  -23.7677
            17  C1y C    23.5128  -21.9438
            18  C1b C    25.5904  -21.2607
            19  C8x C    28.5638  -17.3262
            20  C8x C    30.8152  -17.3134
            21  C1z C    23.5062  -24.2015
            22  O2x O    22.6964  -23.0597
            23  C1b C    23.4102  -20.3625
            24  C8x C    28.9976  -16.0060
            25  O2x O    30.3689  -15.9997
            26  C1a C    22.2434  -25.0304
            27  C1a C    23.5117  -25.9236
            28  C6a C    26.6211  -25.6965
            29  O6a O    25.6240  -26.6936
            30  O6a O    27.9830  -26.0615
            31  C1a C    27.2627  -23.7746
            32  O1a O    24.8904  -20.0483
            33  C6a C    22.1978  -19.6625
            34  O6a O    22.1978  -18.2625
            35  O6a O    20.9853  -20.3625
BOND        38
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1
            11    6  13 1
            12    6  14 2
            13    7  15 1 #Down
            14   10  16 1
            15   10  17 1
            16   10  18 1 #Up
            17   15  19 1
            18   15  20 2
            19   16  21 1
            20   17  22 1
            21   17  23 1
            22   19  24 2
            23   20  25 1
            24   21  26 1
            25   21  27 1
            26    7  13 1
            27    8  11 1
            28   12  16 1
            29   21  22 1
            30   24  25 1
            31   12  28 1
            32   28  29 2
            33   28  30 1
            34    2  31 1
            35   18  32 1
            36   23  33 1
            37   33  34 2
            38   33  35 1

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