| Entry |
|
|---|
| Name |
4-Coumaroylshikimate;
trans-5-O-(4-Coumaroyl)shikimate
|
|---|
| Formula |
C16H16O7
|
|---|
| Exact mass |
320.0896
|
|---|
| Mol weight |
320.294
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00945 | Stilbenoid, diarylheptanoid and gingerol biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00039 | Monolignol biosynthesis, phenylalanine/tyrosine => monolignol |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Paracoumaryl alcohol derivatives
C02947 4-Coumaroylshikimate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 25.2446 -17.3591
2 C1x C 25.3029 -15.9620
3 C1y C 24.0349 -18.0658
4 O7a O 26.4603 -18.0716
5 C2y C 24.0172 -15.2657
6 C1y C 22.8190 -17.3766
7 O1a O 24.0406 -19.4688
8 C7a C 27.6703 -17.3766
9 C2x C 22.8130 -15.9737
10 C6a C 24.0114 -13.8686
11 O1a O 21.6019 -18.0775
12 C2b C 28.8685 -18.0775
13 O6a O 27.6703 -15.9737
14 O6a O 22.7956 -13.1736
15 O6a O 25.2212 -13.1619
16 C2b C 30.0783 -17.3754
17 C8y C 31.2882 -18.0833
18 C8x C 32.5112 -17.3754
19 C8x C 31.2882 -19.4805
20 C8x C 33.7152 -18.0833
21 C8x C 32.5112 -20.1755
22 C8y C 33.7152 -19.4805
23 O1a O 34.9307 -20.1755
BOND 24
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 2
9 5 10 1
10 6 11 1 #Down
11 8 12 1
12 8 13 2
13 10 14 2
14 10 15 1
15 12 16 2
16 16 17 1
17 17 18 1
18 17 19 2
19 18 20 2
20 19 21 1
21 20 22 1
22 22 23 1
23 6 9 1
24 21 22 2
|
|---|
