KEGG   COMPOUND: C08243
Entry
C08243                      Compound                               
Name
Melezitose
Formula
C18H32O16
Exact mass
504.169
Mol weight
504.4371
Structure
Other DBs
CAS: 597-12-6
PubChem: 10442
ChEBI: 6731
KNApSAcK: C00001141
NIKKAJI: J9.861B
KCF data

ATOM        34
            1   C1z C    29.3427  -16.2417
            2   C1y C    29.7750  -17.5618
            3   O2a O    28.0636  -17.2930
            4   O2x O    30.4702  -15.4239
            5   C1b C    28.0169  -15.8211
            6   O2a O    29.8043  -19.0396
            7   C1y C    31.1653  -17.5618
            8   C1y C    26.8602  -17.9823
            9   C1y C    31.5917  -16.2417
            10  O1a O    27.7248  -14.4600
            11  C1y C    29.7927  -20.4299
            12  O1a O    31.9772  -18.6949
            13  O2x O    25.6628  -17.2930
            14  C1y C    26.8602  -19.3725
            15  C1b C    32.9177  -15.8211
            16  O2x O    28.5893  -21.1192
            17  C1y C    30.9959  -21.1366
            18  C1y C    24.4595  -17.9823
            19  C1y C    25.6628  -20.0735
            20  O1a O    28.0636  -20.0735
            21  O1a O    33.9515  -16.7499
            22  C1y C    28.5776  -22.5152
            23  C1y C    30.9901  -22.5211
            24  O1a O    32.1993  -20.4416
            25  C1y C    24.4595  -19.3725
            26  C1b C    23.2504  -17.2930
            27  O1a O    25.6628  -21.4637
            28  C1y C    29.7810  -23.2104
            29  C1b C    27.3684  -23.1987
            30  O1a O    32.1876  -23.2219
            31  O1a O    23.2504  -20.0735
            32  O1a O    22.0412  -17.9823
            33  O1a O    29.7750  -24.6004
            34  O1a O    27.3567  -24.5887
BOND        36
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1 #Down
            6     2   7 1
            7     8   3 1 #Down
            8     4   9 1
            9     5  10 1
            10   11   6 1 #Down
            11    7  12 1 #Up
            12    8  13 1
            13    8  14 1
            14    9  15 1 #Down
            15   11  16 1
            16   11  17 1
            17   13  18 1
            18   14  19 1
            19   14  20 1 #Down
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 1 #Down
            24   18  25 1
            25   18  26 1 #Up
            26   19  27 1 #Up
            27   22  28 1
            28   22  29 1 #Up
            29   23  30 1 #Up
            30   25  31 1 #Down
            31   26  32 1
            32   28  33 1 #Down
            33   29  34 1
            34    7   9 1
            35   19  25 1
            36   23  28 1

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