KEGG   COMPOUND: C08244Help
Entry
C08244                      Compound                               

Name
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose;
Neohesperidose
Formula
C12H22O10
Exact mass
326.1213
Mol weight
326.2971
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 17074-02-1
PubChem: 10443
ChEBI: 73992
ChEMBL: CHEMBL1651520
KNApSAcK: C00001143
NIKKAJI: J15.268D
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    25.9428  -16.3054
            2   O2a O    27.1074  -16.9750
            3   C1y C    24.7372  -17.0043
            4   C1y C    25.9428  -14.9193
            5   C1y C    28.5867  -17.7788
            6   C1y C    23.5376  -16.3054
            7   O1a O    24.7372  -18.3901
            8   O2x O    24.7372  -14.2321
            9   O1a O    27.1424  -14.2321
            10  C1y C    29.7981  -17.0857
            11  O2x O    28.5867  -19.1706
            12  C1y C    23.5376  -14.9193
            13  O1a O    22.3379  -17.0043
            14  C1y C    30.9977  -17.7788
            15  O1a O    29.7981  -15.6939
            16  C1y C    29.7922  -19.8694
            17  C1b C    22.3379  -14.2321
            18  C1y C    30.9977  -19.1765
            19  O1a O    32.2032  -17.0799
            20  C1a C    29.7922  -21.2612
            21  O1a O    21.1383  -14.9193
            22  O1a O    32.2090  -19.8694
BOND        23
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     5   2 1 #Up
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 1
            8     4   9 1 #Up
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Down
            13   10  14 1
            14   10  15 1 #Down
            15   11  16 1
            16   12  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   16  20 1 #Down
            20   17  21 1
            21   18  22 1 #Up
            22    8  12 1
            23   16  18 1

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