KEGG   COMPOUND: C16827
Entry
C16827                      Compound                               
Name
p-Coumaroyl-D-glucose;
1-O-(4-Coumaroyl)-beta-D-glucose;
1-O-(4-Hydroxycinnamoyl)-beta-D-glucose
Formula
C15H18O8
Exact mass
326.1002
Mol weight
326.2986
Structure
Reaction
Enzyme
2.3.1.213       2.4.1.126
Other DBs
PubChem: 96023351
ChEBI: 71498
KNApSAcK: C00032376
PDB-CCD: VKK[PDBj]
NIKKAJI: J322.812F
LinkDB
KCF data

ATOM        23
            1   C8y C    30.8187  -20.3227
            2   C8x C    30.8187  -21.7198
            3   C8x C    32.0286  -22.4184
            4   C8y C    33.2386  -21.7198
            5   C8x C    33.2386  -20.3227
            6   C8x C    32.0286  -19.6241
            7   O1a O    34.4672  -22.4294
            8   C2b C    29.6088  -19.6241
            9   C2b C    28.4157  -20.3131
            10  C7a C    27.2307  -19.6290
            11  O7a O    26.0420  -20.3156
            12  O6a O    27.2305  -18.2272
            13  C1y C    24.8321  -21.0142
            14  O2x O    23.6096  -20.3082
            15  C1y C    22.3996  -21.0066
            16  C1y C    22.3994  -22.4037
            17  C1y C    23.6219  -23.1098
            18  C1y C    24.8319  -22.4113
            19  C1b C    21.1714  -20.2968
            20  O1a O    19.9554  -20.9980
            21  O1a O    21.1580  -23.1203
            22  O1a O    23.6217  -24.5141
            23  O1a O    26.0290  -23.1029
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13   13  11 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 1 #Up
            21   19  20 1
            22   16  21 1 #Down
            23   17  22 1 #Up
            24   18  23 1 #Down

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