| Entry |
|
|---|
| Name |
Quercimeritrin;
Quercetin 7-O-beta-D-glucoside
|
|---|
| Formula |
C21H20O12
|
|---|
| Exact mass |
464.0955
|
|---|
| Mol weight |
464.3763
|
|---|
| Structure |
|
|---|
| Reaction |
R06810
|
|---|
| Enzyme |
2.4.1.237
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C12639 Quercetin 7-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C12639 Quercimeritrin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C12639 Quercimeritrin
|
|---|
| Other DBs |
|
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| KCF data |
ATOM 33
1 C8y C 27.6564 -16.5897
2 C8x C 27.6564 -17.9901
3 C8y C 28.8722 -18.6904
4 C8x C 28.8722 -15.8895
5 C8y C 30.0808 -16.5897
6 C8y C 30.0749 -17.9901
7 C8y C 31.2847 -18.6955
8 C8y C 32.5005 -18.0005
9 C8y C 32.5066 -16.6001
10 O2x O 31.2968 -15.8947
11 C8y C 33.7223 -15.9051
12 C8x C 34.9284 -16.6136
13 C8y C 36.1442 -15.9187
14 C8y C 36.1503 -14.5182
15 C8x C 34.9405 -13.8129
16 C8x C 33.7245 -14.5079
17 O1a O 37.3660 -13.8233
18 O1a O 33.7103 -18.7058
19 O5x O 31.2788 -20.0959
20 O1a O 28.8056 -20.0908
21 O2a O 26.4441 -15.8888
22 O1a O 37.3540 -16.6240
23 C1y C 25.2309 -16.5885
24 O2x O 24.0241 -15.8905
25 C1y C 22.8109 -16.5900
26 C1y C 22.8102 -17.9905
27 C1y C 24.0228 -18.6914
28 C1y C 25.2360 -17.9917
29 C1b C 21.5985 -15.8891
30 O1a O 21.5970 -18.6900
31 O1a O 24.0219 -20.0918
32 O1a O 26.4499 -18.6900
33 O1a O 20.3853 -16.5887
BOND 36
1 15 16 2
2 16 11 1
3 5 6 1
4 14 17 1
5 6 7 1
6 8 18 1
7 7 8 1
8 7 19 2
9 8 9 2
10 3 20 1
11 9 10 1
12 1 21 1
13 10 5 1
14 13 22 1
15 23 21 1 #Up
16 9 11 1
17 1 2 2
18 2 3 1
19 3 6 2
20 5 4 2
21 23 24 1
22 24 25 1
23 25 26 1
24 26 27 1
25 27 28 1
26 28 23 1
27 4 1 1
28 25 29 1 #Up
29 11 12 2
30 26 30 1 #Down
31 12 13 1
32 27 31 1 #Up
33 13 14 2
34 28 32 1 #Down
35 14 15 1
36 29 33 1
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