KEGG   COMPOUND: C17614
Entry
C17614                      Compound                               
Name
1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Formula
C19H34O10
Exact mass
422.2152
Mol weight
422.4673
Structure
Other DBs
PubChem: 96023958
ChEBI: 81219
KNApSAcK: C00036345
NIKKAJI: J989.998G
LinkDB
KCF data

ATOM        29
            1   C1y C    28.3500  -20.6500
            2   C1y C    28.3500  -22.0500
            3   C1y C    27.1600  -22.7500
            4   C1y C    25.9700  -22.0500
            5   C1y C    25.9700  -20.6500
            6   O2x O    27.1600  -19.9500
            7   O2a O    29.5400  -19.9500
            8   O1a O    27.1600  -24.1500
            9   C1b C    24.7100  -19.9500
            10  O1a O    29.5400  -22.7500
            11  O1a O    24.7100  -22.7500
            12  O2a O    23.3800  -20.7900
            13  C1y C    22.0500  -21.6300
            14  C1y C    22.0500  -23.0300
            15  C1y C    20.8600  -23.7300
            16  C1y C    19.6700  -23.0300
            17  C1x C    19.6700  -21.6300
            18  O2x O    20.8600  -20.9300
            19  O1a O    20.8600  -25.1300
            20  O1a O    23.2400  -23.7300
            21  O1a O    18.4800  -23.7300
            22  C1c C    30.7300  -19.2500
            23  C1b C    31.9900  -19.9500
            24  C1b C    33.1800  -19.3200
            25  C1b C    34.3700  -19.9500
            26  C1b C    35.4900  -19.2500
            27  C1a C    36.6800  -19.9500
            28  C2b C    30.7300  -17.9200
            29  C2a C    31.9900  -17.1500
BOND        30
            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     1   7 1 #Up
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    2  10 1 #Down
            11    4  11 1 #Down
            12    9  12 1
            13   13  12 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 1 #Up
            21   14  20 1 #Down
            22   16  21 1 #Down
            23    7  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  28 1
            30   28  29 2

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