Entry |
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Name |
Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
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Formula |
C27H30O13
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Exact mass |
562.1686
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Mol weight |
562.5193
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Structure |
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Comment |
Generic compound in reaction hierarchy
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Reaction |
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Enzyme |
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Brite |
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C15581 Flavonol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside
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Other DBs |
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LinkDB |
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KCF data |
ATOM 40
1 C8y C 24.8500 -18.2700
2 C8y C 24.8500 -19.7400
3 C8y C 26.0400 -17.5700
4 O2x O 23.5900 -17.5700
5 C8y C 23.5900 -20.4400
6 O2a O 26.0400 -20.3700
7 C8x C 26.0400 -16.1700
8 C8x C 27.3000 -18.2700
9 C8y C 22.4000 -18.2700
10 C8y C 22.4000 -19.6700
11 O5x O 23.5900 -21.7700
12 C1y C 27.2300 -21.0700
13 C8x C 27.2300 -15.4700
14 C8x C 28.4900 -17.5700
15 C8x C 21.1400 -17.5700
16 C8x C 21.1400 -20.4400
17 O2x O 28.4900 -20.3700
18 C1y C 27.2300 -22.4700
19 C8x C 28.4900 -16.1700
20 C8x C 19.9500 -18.2700
21 C8x C 19.9500 -19.6700
22 C1y C 29.6800 -21.0700
23 C1y C 28.4900 -23.1700
24 C1y C 29.6800 -22.4700
25 C1b C 30.8700 -20.3700
26 O1a O 28.4900 -24.5700
27 O1a O 30.8700 -23.1700
28 O1a O 31.9200 -21.2800
29 C1y C 24.8500 -23.8700
30 O2x O 23.5900 -23.1700
31 C1y C 24.8500 -25.2700
32 C1y C 22.4000 -23.8700
33 C1y C 23.5900 -25.9700
34 O1a O 26.0400 -25.9700
35 C1y C 22.4000 -25.2700
36 C1b C 21.2100 -23.1700
37 O1a O 23.5900 -27.3700
38 O1a O 21.2100 -25.9700
39 O1a O 20.1600 -24.0800
40 O2a O 26.0566 -23.1600
BOND 44
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 22 24 1
24 22 25 1 #Down
25 23 26 1 #Down
26 24 27 1 #Up
27 25 28 1
28 9 10 2
29 14 19 1
30 20 21 1
31 23 24 1
32 29 30 1
33 29 31 1
34 30 32 1
35 31 33 1
36 31 34 1 #Down
37 32 35 1
38 32 36 1 #Up
39 33 37 1 #Up
40 35 38 1 #Down
41 36 39 1
42 33 35 1
43 29 40 1 #Up
44 18 40 1 #Up
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