Entry |
|
Name |
p-Coumaroyl quinic acid;
trans-5-O-(4-Coumaroyl)-D-quinate
|
Formula |
C16H18O8
|
Exact mass |
338.1002
|
Mol weight |
338.31
|
Structure |

|
Reaction |
|
Pathway |
map00945 | Stilbenoid, diarylheptanoid and gingerol biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
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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