Entry |
|
Name |
p-Glucosyloxymandelonitrile
|
Formula |
C14H17NO7
|
Exact mass |
311.1005
|
Mol weight |
311.2873
|
Structure |
|
Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Cyanogenic glucosides
Cyanogenic glucosides derived from thyrosine
C08330 p-Glucosyloxymandelonitrile
Glycosides [BR:br08021]
O-glycosides
Cyanogenic glycosides
C08330 p-Glucosyloxymandelonitrile
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 22
1 C1y C 24.8512 -16.3285
2 O2a O 26.0753 -15.6232
3 O2x O 23.6390 -15.6524
4 C1y C 24.8688 -17.7154
5 C8y C 27.3050 -16.3342
6 C1y C 22.4383 -16.3692
7 C1y C 23.6914 -18.4148
8 O1a O 26.0693 -18.3858
9 C8x C 28.5289 -15.6232
10 C8x C 27.3050 -17.7447
11 C1y C 22.4792 -17.7504
12 C1b C 21.2204 -15.6872
13 O1a O 23.6914 -19.8020
14 C8x C 29.7470 -16.3285
15 C8x C 28.5347 -18.4498
16 O1a O 21.2728 -18.4498
17 O1a O 20.0372 -16.4042
18 C8y C 29.7528 -17.7447
19 C1c C 30.9709 -18.4557
20 O1a O 32.1530 -17.7809
21 C3b C 30.9645 -19.8798
22 N3a N 30.9645 -21.2798
BOND 23
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 2
14 10 15 1
15 11 16 1 #Down
16 12 17 1
17 14 18 1
18 18 19 1
19 7 11 1
20 15 18 2
21 19 20 1
22 19 21 1
23 21 22 3
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