KEGG   COMPOUND: C08239Help
Entry
C08239                      Compound                               

Name
Gentianose;
beta-D-Fructofuranosyl O-beta-D-glucopyranosyl-(1-6)-alpha-D-glucopyranoside
Formula
C18H32O16
Exact mass
504.169
Mol weight
504.4371
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 25954-44-3
PubChem: 10438
ChEBI: 28782
KNApSAcK: C00001135
NIKKAJI: J17.211A
KCF data Show

ATOM        34
            1   C1z C    32.6199  -17.1444
            2   O2a O    31.0761  -18.2731
            3   O2x O    33.7253  -16.3431
            4   C1y C    33.0469  -18.4250
            5   C1b C    31.5672  -16.0624
            6   C1y C    29.8480  -19.0917
            7   C1y C    34.8188  -17.1444
            8   C1y C    34.3977  -18.4250
            9   O1a O    32.2573  -19.5187
            10  O1a O    30.1696  -16.8344
            11  O2x O    28.6841  -18.4193
            12  C1y C    29.8480  -20.4427
            13  C1b C    36.0995  -16.7291
            14  O1a O    35.1988  -19.5187
            15  C1y C    27.5204  -19.0917
            16  C1y C    28.6841  -21.1210
            17  O1a O    31.0235  -21.1210
            18  O1a O    37.1054  -17.6298
            19  C1b C    26.2398  -18.1092
            20  C1y C    27.5204  -20.4427
            21  O1a O    28.6841  -22.4718
            22  O2a O    24.7718  -18.9631
            23  O1a O    26.3392  -20.9110
            24  C1y C    23.5906  -19.6356
            25  O2x O    22.4209  -18.9514
            26  C1y C    23.5906  -20.9982
            27  C1y C    21.2455  -19.6356
            28  C1y C    22.4209  -21.6649
            29  O1a O    24.7718  -21.8749
            30  C1y C    21.2455  -20.9982
            31  C1b C    20.0643  -18.9514
            32  O1a O    22.4269  -23.0157
            33  O1a O    20.0700  -21.6707
            34  O1a O    18.9005  -19.6239
BOND        36
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Down
            13    8  14 1 #Up
            14   11  15 1
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   15  19 1 #Up
            19   15  20 1
            20   16  21 1 #Up
            21   19  22 1
            22   20  23 1 #Down
            23   24  22 1 #Up
            24   24  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1 #Up
            32   30  33 1 #Down
            33   31  34 1
            34    7   8 1
            35   16  20 1
            36   28  30 1

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