KEGG   COMPOUND: C10433Help
Entry
C10433                      Compound                               

Name
1-Caffeoyl-beta-D-glucose
Formula
C15H18O9
Exact mass
342.0951
Mol weight
342.298
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
14364-08-0
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    22.4639  -17.8154
            2   O2x O    21.2473  -17.1137
            3   C1y C    22.4697  -19.2133
            4   O7a O    23.6746  -17.1137
            5   C1y C    20.0366  -17.8154
            6   C1y C    21.2532  -19.9210
            7   O1a O    23.6804  -19.9152
            8   C7a C    24.8794  -17.8154
            9   C1y C    20.0366  -19.2191
            10  C1b C    18.8261  -17.1195
            11  O1a O    21.2532  -21.3189
            12  C2b C    26.0901  -17.1137
            13  O6a O    24.8794  -19.0733
            14  O1a O    18.8261  -19.9210
            15  O1a O    17.6095  -17.8213
            16  C2b C    27.3008  -17.8154
            17  C8y C    28.5057  -17.1137
            18  C8x C    28.5057  -15.7157
            19  C8x C    29.7222  -17.8154
            20  C8y C    29.7222  -15.0139
            21  C8x C    30.9329  -17.1137
            22  C8y C    30.9329  -15.7157
            23  O1a O    29.7222  -13.6161
            24  O1a O    32.1436  -15.0139
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1 #Up
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Down
            14   10  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 2
            21   20  22 2
            22   20  23 1
            23   22  24 1
            24    6   9 1
            25   21  22 1

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