KEGG   COMPOUND: C10441
Entry
C10441                      Compound                               
Name
4-p-Coumaroylquinic acid
Formula
C16H18O8
Exact mass
338.1002
Mol weight
338.3093
Structure
Other DBs
CAS: 93451-44-6
PubChem: 12625
ChEBI: 1945
KNApSAcK: C00002730 C00032657
3DMET: B03848
NIKKAJI: J2.773.230E
LinkDB
KCF data

ATOM        24
            1   C1y C    31.0675  -20.2265
            2   C1y C    32.2774  -19.5244
            3   C1y C    29.8518  -19.5244
            4   O7a O    31.0675  -21.6236
            5   C1x C    32.2774  -18.1214
            6   O1a O    33.4873  -20.2208
            7   C1x C    29.8518  -18.1214
            8   O1a O    28.6347  -20.2265
            9   C7a C    29.8575  -22.3186
            10  C1z C    31.0675  -17.4265
            11  C2b C    28.6464  -21.6178
            12  O6a O    29.8575  -23.7158
            13  C6a C    31.0675  -16.0236
            14  O1a O    29.8458  -16.7244
            15  C2b C    27.4424  -22.3186
            16  O6a O    32.2833  -15.3273
            17  O6a O    29.8575  -15.3215
            18  C8y C    26.2325  -21.6178
            19  C8x C    25.0228  -22.3245
            20  C8x C    26.2267  -20.2148
            21  C8x C    23.8071  -21.6296
            22  C8x C    25.0110  -19.5244
            23  C8y C    23.8011  -20.2265
            24  O1a O    22.5853  -19.5361
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    9  11 1
            11    9  12 2
            12   10  13 1 #Up
            13   10  14 1 #Down
            14   11  15 2
            15   13  16 1
            16   13  17 2
            17   15  18 1
            18   18  19 1
            19   18  20 2
            20   19  21 2
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24    7  10 1
            25   22  23 2

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