| Entry |
|
|---|
| Name |
1-O-Galloyl-beta-D-glucose;
1-Galloyl-beta-glucose;
beta-Glucogallin;
1-Galloyl-beta-D-glucose
|
|---|
| Formula |
C13H16O10
|
|---|
| Exact mass |
332.0743
|
|---|
| Mol weight |
332.2601
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 20.8601 -15.8359
2 O2x O 19.6475 -15.1364
3 C1y C 20.8601 -17.2280
4 O7a O 22.0792 -15.1427
5 C1y C 18.4348 -15.8359
6 C1y C 19.6475 -17.9338
7 O1a O 22.0727 -17.9338
8 C7a C 23.2855 -14.4435
9 C1y C 18.4348 -17.2280
10 C1b C 17.2414 -15.1364
11 O1a O 19.6475 -19.3962
12 C8y C 24.4916 -15.1427
13 O6a O 23.2918 -13.1848
14 O1a O 17.2414 -17.9338
15 O1a O 16.1698 -16.0411
16 C8x C 24.4916 -16.5545
17 C8x C 25.7173 -14.4435
18 C8y C 25.7173 -17.2665
19 C8y C 26.9234 -15.1427
20 C8y C 26.9556 -16.4197
21 O1a O 25.7173 -18.6654
22 O1a O 28.1362 -14.4435
23 O1a O 28.1362 -17.2474
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 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 8 13 2
13 9 14 1 #Down
14 10 15 1
15 12 16 2
16 12 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 18 21 1
21 19 22 1
22 20 23 1
23 6 9 1
24 19 20 1
|
|---|
