Entry |
|
Name |
Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)
|
Formula |
C24H22O11
|
Exact mass |
486.1162
|
Mol weight |
486.4249
|
Structure |
|
Comment |
Generic compound in reaction hierarchy
|
Reaction |
|
Enzyme |
|
Brite |
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C04385 Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)
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Other DBs |
|
KCF data |
ATOM 35
1 C8y C 30.8015 -19.0715
2 C8y C 30.8015 -20.4665
3 C8y C 32.0877 -18.3742
4 O2x O 29.5986 -18.3742
5 C8y C 29.5986 -21.1576
6 O2a O 31.9981 -21.1576
7 C8x C 32.0877 -16.9857
8 C8x C 33.2907 -19.0715
9 C8y C 28.3893 -19.0715
10 C8y C 28.3893 -20.4665
11 O5x O 29.5923 -22.5525
12 C1y C 33.4825 -22.1685
13 C8x C 33.2907 -16.2881
14 C8x C 34.5000 -18.3742
15 C8x C 27.1863 -18.3742
16 C8x C 27.1863 -21.1576
17 O2x O 34.6855 -21.4710
18 C1y C 33.4825 -23.5571
19 C8x C 34.5000 -16.9857
20 C8x C 26.0345 -19.0525
21 C8x C 26.0470 -20.4665
22 C1y C 35.8886 -22.1685
23 C1y C 34.6855 -24.2544
24 O1a O 32.2733 -24.2544
25 C1y C 35.8886 -23.5571
26 C1b C 37.0978 -21.4710
27 O1a O 34.6855 -25.6430
28 O1a O 37.0978 -24.2544
29 O7a O 38.3198 -22.1771
30 C7a C 39.5045 -21.4936
31 C1b C 40.6967 -22.1825
32 O6a O 39.5050 -20.0902
33 C6a C 41.8861 -21.4963
34 O6a O 43.0759 -22.1839
35 O6a O 41.8867 -20.0903
BOND 38
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 12 6 1 #Down
12 7 13 1
13 8 14 2
14 9 15 1
15 10 16 1
16 12 17 1
17 12 18 1
18 13 19 2
19 15 20 2
20 16 21 2
21 17 22 1
22 18 23 1
23 18 24 1 #Up
24 22 25 1
25 22 26 1 #Down
26 23 27 1 #Down
27 25 28 1 #Up
28 9 10 2
29 14 19 1
30 20 21 1
31 23 25 1
32 26 29 1
33 29 30 1
34 30 31 1
35 30 32 2
36 31 33 1
37 33 34 1
38 33 35 2
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