| Entry |
|
|---|
| Name |
Progoitrin;
2(R)-2-Hydroxy-3-butenyl glucosinolate;
Glucorapiferin
|
|---|
| Formula |
C11H19NO10S2
|
|---|
| Exact mass |
389.045
|
|---|
| Mol weight |
389.3993
|
|---|
| Structure |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Glucosinolates
Glucosinolates derived from methionine
C08425 2(R)-2-Hydroxy-3-butenyl glucosinolate
Glycosides [BR:br08021]
S-glycosides
C08425 Progoitrin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 24
1 C1y C 21.1109 -16.5781
2 S2a S 21.0933 -15.1378
3 O2x O 19.9562 -17.2429
4 C1y C 22.2597 -17.2486
5 C2c C 21.1050 -13.8140
6 C1y C 19.9562 -18.5665
7 C1y C 22.2537 -18.5724
8 O1a O 23.4027 -16.5898
9 C1b C 19.8455 -13.0909
10 N2b N 22.2480 -13.1376
11 C1y C 21.1050 -19.2372
12 C1b C 18.8075 -19.2546
13 O1a O 23.3967 -19.2488
14 C1c C 18.5859 -13.8081
15 O2a O 23.3910 -12.4728
16 O1a O 21.0933 -20.5608
17 O1a O 17.6530 -18.6015
18 C2b C 17.3148 -13.0793
19 O1a O 18.5917 -15.2660
20 S4a S 24.6388 -13.4058
21 C2a C 16.0551 -13.8081
22 O1d O 25.7118 -12.1870
23 O1d O 23.5368 -14.5546
24 O1d O 25.9334 -14.2163
BOND 24
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 1 #Up
19 15 20 1
20 18 21 2
21 20 22 2
22 20 23 2
23 20 24 1
24 7 11 1
|
|---|
