| Entry |
|
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| Name |
Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside];
Quercetin 3-O-sambubioside
|
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| Formula |
C26H28O16
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| Exact mass |
596.1377
|
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| Mol weight |
596.49
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| Structure |
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| Reaction |
|
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| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C12637 Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside]
Dietary phytochemicals [br08012.html]
Flavonoids
C12637
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 O2x O 20.9419 -17.9245
2 C1y C 20.9419 -19.3249
3 C1y C 22.1577 -20.0251
4 C1y C 23.3663 -19.3249
5 C1y C 23.3663 -17.9245
6 C1y C 22.1577 -17.2242
7 O2a O 24.5797 -17.2252
8 C1y C 25.7920 -17.9263
9 O2x O 25.7854 -19.3247
10 C1x C 26.9978 -20.0260
11 C1y C 28.2110 -19.3266
12 C1y C 28.2120 -17.9262
13 C1y C 26.9998 -17.2251
14 C1b C 19.7295 -20.0258
15 O1a O 19.7302 -21.4263
16 O1a O 22.1595 -21.4256
17 O1a O 24.5097 -20.3043
18 O2a O 22.1595 -15.8239
19 O1a O 26.9986 -15.8247
20 O1a O 29.4254 -17.2268
21 O1a O 29.4234 -20.0277
22 C8y C 16.1058 -13.7078
23 C8x C 16.1058 -15.1082
24 C8y C 17.3214 -15.8084
25 C8x C 17.3214 -13.0075
26 C8y C 18.5301 -13.7078
27 C8y C 18.5240 -15.1082
28 C8y C 19.7338 -15.8135
29 C8y C 20.9497 -15.1186
30 C8y C 20.9556 -13.7181
31 O2x O 19.7458 -13.0128
32 C8y C 22.1714 -13.0232
33 C8x C 23.3775 -13.7317
34 C8y C 24.5934 -13.0367
35 C8y C 24.5994 -11.6363
36 C8x C 23.3895 -10.9310
37 C8x C 22.1738 -11.6259
38 O1a O 25.8151 -10.9413
39 O5x O 19.7278 -17.2139
40 O1a O 17.3247 -17.2088
41 O1a O 14.8933 -13.0069
42 O1a O 25.8032 -13.7421
BOND 46
1 5 6 1
2 11 21 1 #Down
3 6 1 1
4 8 9 1
5 9 10 1
6 10 11 1
7 22 23 2
8 23 24 1
9 24 27 2
10 26 25 2
11 25 22 1
12 11 12 1
13 12 13 1
14 13 8 1
15 2 14 1 #Up
16 5 7 1 #Down
17 26 27 1
18 27 28 1
19 28 29 1
20 29 30 2
21 30 31 1
22 31 26 1
23 14 15 1
24 30 32 1
25 1 2 1
26 3 16 1 #Down
27 8 7 1 #Up
28 4 17 1 #Up
29 2 3 1
30 32 33 2
31 33 34 1
32 34 35 2
33 35 36 1
34 36 37 2
35 37 32 1
36 6 18 1 #Up
37 35 38 1
38 29 18 1
39 3 4 1
40 28 39 2
41 13 19 1 #Down
42 24 40 1
43 4 5 1
44 22 41 1
45 12 20 1 #Up
46 34 42 1
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