| Entry |
|
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| Name |
Flavonol 3-O-D-xylosylglucoside
|
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| Formula |
C26H28O12
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| Exact mass |
532.1581
|
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| Mol weight |
532.4933
|
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| Structure |
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| Comment |
Generic compound in reaction hierarchy
|
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| Brite |
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C04068 Flavonol 3-O-D-xylosylglucoside
|
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| Other DBs |
|
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| KCF data |
ATOM 38
1 C8y C 25.1364 -18.9888
2 C8y C 25.1364 -20.4548
3 C8y C 26.3930 -18.2908
4 O2x O 23.9497 -18.2210
5 C8y C 23.9497 -21.0830
6 O2a O 26.3231 -21.0830
7 C8x C 26.3231 -16.8947
8 C8x C 27.5797 -18.9190
9 C8y C 22.6932 -18.9888
10 C8y C 22.6932 -20.3850
11 O5x O 23.9497 -22.4093
12 C1y C 27.5797 -21.7811
13 C8x C 27.5797 -16.1268
14 C8x C 28.7664 -18.2210
15 C8x C 21.5065 -18.2908
16 C8x C 21.5065 -21.0830
17 O2x O 28.7664 -21.0830
18 C1y C 27.5797 -23.1772
19 C8x C 28.7664 -16.8249
20 C8x C 20.2500 -18.9888
21 C8x C 20.2500 -20.3850
22 C1y C 29.9531 -21.7811
23 C1y C 28.7664 -23.8753
24 O1a O 26.3231 -23.8753
25 C1y C 29.9531 -23.1772
26 C1b C 31.2096 -21.0830
27 O1a O 28.7664 -25.2714
28 O1a O 31.2096 -23.8753
29 O2a O 32.2567 -21.9905
30 C1y C 33.4434 -22.6886
31 C1y C 33.4434 -24.0847
32 O2x O 34.6999 -21.9905
33 C1y C 34.6999 -24.7828
34 O1a O 32.2567 -24.7828
35 C1x C 35.8866 -22.6886
36 C1y C 35.8866 -24.0847
37 O1a O 34.6999 -26.1789
38 O1a O 37.0733 -24.7828
BOND 42
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 26 29 1
29 30 29 1 #Down
30 30 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1
35 33 36 1
36 33 37 1 #Down
37 36 38 1 #Up
38 9 10 2
39 14 19 1
40 20 21 1
41 23 25 1
42 35 36 1
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