KEGG   COMPOUND: C12208Help
Entry
C12208                      Compound                               

Name
p-Coumaroyl quinic acid;
trans-5-O-(4-Coumaroyl)-D-quinate
Formula
C16H18O8
Exact mass
338.1002
Mol weight
338.3093
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Flavonoid biosynthesis
Stilbenoid, diarylheptanoid and gingerol biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.14.13.36      2.3.1.133
Other DBs
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    26.4600  -19.5300
            2   C8x C    26.4600  -20.9300
            3   C8x C    27.6724  -21.6300
            4   C8y C    28.8849  -20.9300
            5   C8x C    28.8849  -19.5300
            6   C8x C    27.6724  -18.8300
            7   O1a O    30.1160  -21.6410
            8   C2b C    25.2476  -18.8300
            9   C2b C    24.0521  -19.5204
            10  C7a C    22.8647  -18.8349
            11  O7a O    21.6735  -19.5229
            12  O6a O    22.8645  -17.4302
            13  C1y C    20.4840  -18.8362
            14  C1x C    20.4838  -17.4302
            15  C1z C    19.2713  -16.7304
            16  C1x C    18.0590  -17.4305
            17  C1y C    18.0591  -18.8365
            18  C1y C    19.2716  -19.5363
            19  C6a C    20.4838  -16.0304
            20  O1a O    18.0589  -16.0304
            21  O6a O    20.4838  -14.6304
            22  O6a O    21.7155  -16.7418
            23  O1a O    16.8502  -19.5346
            24  O1a O    19.2717  -20.9298
BOND        25
            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   15  20 1 #Down
            22   19  21 1
            23   19  22 2
            24   17  23 1 #Down
            25   18  24 1 #Down

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