| Entry |
|
|---|
| Name |
1-O-Sinapoyl-beta-D-glucose;
1-O-Sinapoyl beta-D-glucoside
|
|---|
| Formula |
C17H22O10
|
|---|
| Exact mass |
386.1213
|
|---|
| Mol weight |
386.3506
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Monolignols
Sinapate derivatives
C01175 1-O-Sinapoyl-beta-D-glucose
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 24.9900 -23.0300
2 C8x C 24.9900 -24.4300
3 C8y C 26.2024 -25.1300
4 C8y C 27.4149 -24.4300
5 C8y C 27.4149 -23.0300
6 C8x C 26.2024 -22.3300
7 O2a O 28.6460 -22.3190
8 O1a O 28.6460 -25.1410
9 O2a O 26.2024 -26.5298
10 C1a C 24.9732 -27.2397
11 C1a C 28.6460 -20.9190
12 C2b C 23.7776 -22.3300
13 C2b C 22.5821 -23.0204
14 C7a C 21.3947 -22.3349
15 O7a O 20.2035 -23.0229
16 O6a O 21.3945 -20.9302
17 C1y C 18.9911 -23.7229
18 O2x O 17.7661 -23.0155
19 C1y C 16.5536 -23.7153
20 C1y C 16.5534 -25.1153
21 C1y C 17.7784 -25.8228
22 C1y C 18.9909 -25.1229
23 C1b C 15.3229 -23.0041
24 O1a O 14.1044 -23.7067
25 O1a O 15.3095 -25.8334
26 O1a O 17.7782 -27.2300
27 O1a O 20.1905 -25.8159
BOND 28
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 5 7 1
8 4 8 1
9 3 9 1
10 9 10 1
11 7 11 1
12 1 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 14 16 2
17 17 15 1 #Up
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 17 22 1
24 19 23 1 #Up
25 23 24 1
26 20 25 1 #Down
27 21 26 1 #Up
28 22 27 1 #Down
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|---|
