| Entry |
|
|---|
| Name |
Glucotropaeolin;
Glucotropeolin;
Benzyl glucosinolate
|
|---|
| Formula |
C14H19NO9S2
|
|---|
| Exact mass |
409.0501
|
|---|
| Mol weight |
409.432
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Glucosinolates
Glucosinolates derived from phenylalanine
C02153 Benzyl glucosinolate
Glycosides [BR:br08021]
S-glycosides
C02153 Glucotropaeolin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 26
1 C1y C 21.0349 -16.5898
2 S2a S 21.0175 -15.1552
3 O2x O 19.8920 -17.2429
4 C1y C 22.1836 -17.2486
5 C2c C 21.0291 -13.8374
6 C1y C 19.8920 -18.5665
7 C1y C 22.1779 -18.5724
8 O1a O 23.3150 -16.6015
9 C1b C 19.7753 -13.1200
10 N2b N 22.1720 -13.1726
11 C1y C 21.0291 -19.2313
12 C1b C 18.7490 -19.2489
13 O1a O 23.3092 -19.2429
14 C8y C 18.5216 -13.8314
15 O2a O 23.3033 -12.5019
16 O1a O 21.0175 -20.5493
17 O1a O 17.5886 -18.5958
18 C8x C 18.5275 -15.2836
19 C8x C 17.2620 -13.1142
20 S4a S 24.5454 -13.4291
21 C8x C 17.2737 -16.0182
22 C8x C 16.0025 -13.8431
23 O1d O 25.6125 -12.2163
24 O1d O 23.4433 -14.5721
25 O1d O 25.8342 -14.2397
26 C8x C 16.0083 -15.2953
BOND 27
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 2
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 11 16 1 #Down
16 12 17 1
17 14 18 1
18 14 19 2
19 15 20 1
20 18 21 2
21 19 22 1
22 20 23 2
23 20 24 2
24 20 25 1
25 21 26 1
26 7 11 1
27 22 26 2
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|---|
