| Entry |
|
|---|
| Name |
Quercetin 3-(2G-xylosylrutinoside)
|
|---|
| Formula |
C32H38O20
|
|---|
| Exact mass |
742.1956
|
|---|
| Mol weight |
742.6321
|
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| Structure |
|
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| Reaction |
R06811
|
|---|
| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
|---|
| Enzyme |
2.4.2.35
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10175 Quercetin 3-(2G-xylosylrutinoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C10175 Quercetin 3-(2G-xylosylrutinoside)
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C10175 Quercetin 3-(2G-xylosylrutinoside)
|
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| Other DBs |
|
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| KCF data |
ATOM 52
1 C1x C 33.8540 -18.6845
2 C1y C 35.0502 -17.9755
3 C1y C 35.0446 -16.5745
4 C1y C 33.8371 -15.8911
5 C1y C 32.6242 -16.5957
6 O2x O 32.6357 -17.9880
7 O1a O 36.2675 -18.6687
8 O1a O 36.2470 -15.8708
9 O1a O 33.8224 -14.4954
10 O2a O 31.1628 -15.7190
11 C1y C 27.5516 -17.8035
12 C1y C 28.7577 -18.4939
13 O2x O 27.5521 -16.4189
14 C1b C 26.3514 -18.5052
15 C1y C 29.9578 -17.8069
16 O1a O 28.7572 -19.8932
17 C1y C 28.7564 -15.7152
18 O2a O 26.3458 -19.8867
19 C1y C 29.9556 -16.4127
20 O1a O 31.1672 -18.4923
21 C1y C 26.4028 -21.5875
22 C1y C 27.6022 -22.2851
23 O2x O 25.1964 -22.2834
24 C1y C 27.6020 -23.6712
25 O1a O 28.8068 -21.5829
26 C1y C 25.1979 -23.6758
27 C1y C 26.4044 -24.3663
28 O1a O 28.8136 -24.3646
29 C1a C 23.9921 -24.3636
30 O1a O 26.4099 -25.7544
31 O2a O 28.7530 -14.2975
32 C8y C 27.5034 -12.2241
33 C8y C 27.4976 -13.6076
34 C8y C 28.7070 -11.5481
35 O2x O 26.3009 -11.5294
36 C8y C 26.2892 -14.2963
37 C8x C 28.7070 -10.1705
38 C8x C 29.8908 -12.2417
39 C8y C 25.1043 -12.2183
40 C8y C 25.0983 -13.5960
41 O5x O 26.3533 -15.6797
42 C8y C 29.9024 -9.4748
43 C8x C 31.1005 -11.5598
44 C8x C 23.9134 -11.5234
45 C8y C 23.9134 -14.2904
46 C8y C 31.1062 -10.1763
47 O1a O 29.9084 -8.0942
48 C8y C 22.7238 -12.2183
49 C8x C 22.7238 -13.5960
50 O1a O 23.9193 -15.6738
51 O1a O 32.3017 -9.4864
52 O1a O 21.5143 -11.5234
BOND 57
1 21 22 1
2 21 23 1
3 22 24 1
4 22 25 1 #Down
5 23 26 1
6 24 27 1
7 24 28 1 #Down
8 26 29 1 #Down
9 27 30 1 #Up
10 17 19 1
11 26 27 1
12 17 31 1 #Up
13 1 2 1
14 2 3 1
15 3 4 1
16 4 5 1
17 5 6 1
18 6 1 1
19 2 7 1 #Down
20 3 8 1 #Up
21 4 9 1 #Down
22 5 10 1 #Up
23 11 12 1
24 11 13 1
25 11 14 1 #Up
26 12 15 1
27 12 16 1 #Down
28 13 17 1
29 14 18 1
30 15 19 1
31 15 20 1 #Up
32 21 18 1 #Up
33 19 10 1 #Down
34 34 37 1
35 34 38 2
36 35 39 1
37 36 40 1
38 36 41 2
39 37 42 2
40 38 43 1
41 39 44 1
42 40 45 1
43 42 46 1
44 42 47 1
45 44 48 2
46 45 49 2
47 45 50 1
48 46 51 1
49 48 52 1
50 39 40 2
51 43 46 2
52 48 49 1
53 33 31 1
54 32 33 2
55 32 34 1
56 32 35 1
57 33 36 1
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