KEGG   COMPOUND: C17068Help
Entry
C17068                      Compound                               

Name
Valerosidatum;
Valerosidate
Formula
C21H34O11
Exact mass
462.2101
Mol weight
462.4881
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
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KCF data Show

ATOM        32
            1   C1y C    33.8978  -21.4954
            2   C1y C    35.2375  -21.4954
            3   C1y C    35.9074  -22.6341
            4   C1y C    35.2375  -23.8398
            5   C1y C    33.8978  -23.8398
            6   O2x O    33.2280  -22.6341
            7   O1a O    35.9074  -24.9786
            8   O1a O    37.2471  -22.6341
            9   O1a O    35.9074  -20.3566
            10  C1b C    33.2280  -20.3566
            11  O1a O    31.7543  -19.4858
            12  O2a O    33.2950  -25.1125
            13  O7a O    34.5007  -31.8110
            14  C7a C    33.3620  -32.4808
            15  C1b C    32.2232  -31.8110
            16  C1c C    31.0175  -32.5478
            17  O6a O    33.3620  -33.8205
            18  C1a C    31.0845  -33.8875
            19  C1a C    29.8788  -31.8780
            20  C2x C    33.4290  -27.9259
            21  O2x O    33.4290  -29.2656
            22  C1y C    34.5677  -29.9354
            23  C1y C    35.7734  -29.2656
            24  C1y C    35.7734  -27.9259
            25  C2y C    34.5677  -27.2560
            26  C1z C    38.0509  -29.2656
            27  C1y C    38.0509  -27.9259
            28  C1x C    36.9121  -27.2560
            29  O1a O    39.2566  -27.2560
            30  O1a O    39.2566  -29.9354
            31  C1a C    38.0509  -30.6053
            32  C1b C    34.5677  -25.9163
BOND        34
            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     4   7 1 #Up
            8     3   8 1 #Down
            9     2   9 1 #Up
            10    1  10 1 #Down
            11   10  11 1
            12    5  12 1 #Down
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   14  17 2
            17   16  18 1
            18   16  19 1
            19   20  21 1
            20   21  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   20  25 2
            25   23  26 1
            26   26  27 1
            27   27  28 1
            28   24  28 1
            29   27  29 1 #Down
            30   26  30 1 #Up
            31   26  31 1 #Down
            32   22  13 1 #Down
            33   25  32 1
            34   32  12 1

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