KEGG   COMPOUND: C08251
Entry
C08251                      Compound                               
Name
Umbelliferose;
beta-D-Fructofuranosyl 2-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
Formula
C18H32O16
Exact mass
504.169
Mol weight
504.4371
Structure
Other DBs
CAS: 546-60-1
PubChem: 10450
ChEBI: 9859
KNApSAcK: C00001153
NIKKAJI: J2.765.431B
KCF data

ATOM        34
            1   C1z C    31.6201  -21.3109
            2   O2a O    30.4167  -20.0435
            3   O2x O    30.4926  -22.1113
            4   C1y C    32.7241  -22.1464
            5   C1b C    32.5781  -20.2537
            6   C1y C    30.4227  -18.6941
            7   C1y C    30.9015  -23.4255
            8   C1y C    32.2743  -23.4431
            9   O1a O    34.0384  -21.7432
            10  O1a O    32.5779  -18.9394
            11  C1y C    29.2252  -18.0108
            12  O2x O    31.6084  -18.0108
            13  C1b C    30.0779  -24.5354
            14  O1a O    33.0686  -24.5645
            15  O2a O    27.9867  -18.8635
            16  C1y C    29.2252  -16.6322
            17  C1y C    31.6084  -16.6322
            18  O1a O    28.5417  -23.7994
            19  C1y C    26.7427  -19.5528
            20  C1y C    30.4227  -15.9429
            21  O1a O    28.0335  -15.9370
            22  C1b C    32.8059  -15.9429
            23  O2x O    25.5510  -18.8694
            24  C1y C    26.7427  -20.9313
            25  O1a O    30.4227  -14.5644
            26  O1a O    33.9917  -16.6322
            27  C1y C    24.3595  -19.5528
            28  C1y C    25.5510  -21.6206
            29  O1a O    27.9342  -21.6206
            30  C1y C    24.3595  -20.9313
            31  C1b C    23.1620  -18.8694
            32  O1a O    25.5510  -22.9991
            33  O1a O    23.1620  -21.6206
            34  O1a O    21.9762  -19.5528
BOND        36
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     6   2 1 #Down
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   11  15 1 #Down
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   19  15 1 #Down
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1 #Up
            22   19  23 1
            23   19  24 1
            24   20  25 1 #Down
            25   22  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1 #Up
            32   30  33 1 #Up
            33   31  34 1
            34    7   8 1
            35   17  20 1
            36   28  30 1

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