| Entry |
|
|---|
| Name |
Isoquercitrin;
Quercetin 3-O-glucoside;
2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one;
Isotrifoliin
|
|---|
| Formula |
C21H20O12
|
|---|
| Exact mass |
464.0955
|
|---|
| Mol weight |
464.37
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C05623 Quercetin 3-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C05623 Quercetin 3-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C05623 Quercetin 3-O-glucoside
Dietary phytochemicals [br08012.html]
Flavonoids
C05623
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 C1y C 31.2948 -17.6723
2 O2x O 31.2948 -19.0726
3 C1y C 32.5104 -19.7727
4 C1y C 33.7189 -19.0726
5 C1y C 33.7189 -17.6723
6 C1y C 32.5104 -16.9721
7 C1b C 32.5123 -21.1731
8 O1a O 34.9322 -16.9730
9 O1a O 32.5123 -15.7818
10 O1a O 34.9322 -19.7719
11 O1a O 31.3004 -21.8747
12 O2a O 30.0824 -16.9714
13 C8y C 28.8825 -14.8703
14 C8y C 28.8767 -16.2691
15 C8y C 30.0941 -14.1739
16 O2x O 27.6709 -14.1622
17 C8y C 27.6592 -16.9657
18 C8x C 30.1000 -12.7749
19 C8x C 31.2999 -14.8820
20 C8y C 26.4536 -14.8586
21 C8y C 26.4478 -16.2574
22 O5x O 27.6535 -18.3645
23 C8x C 31.3116 -12.0785
24 C8y C 32.5172 -14.1856
25 C8x C 25.2480 -14.1562
26 C8y C 25.2480 -16.9597
27 C8y C 32.5231 -12.7866
28 C8y C 24.0305 -14.8586
29 C8x C 24.0305 -16.2574
30 O1a O 25.2480 -18.3587
31 O1a O 33.7405 -12.0902
32 O1a O 22.8189 -14.1562
33 O1a O 33.7271 -14.8908
BOND 36
1 3 7 1 #Up
2 2 3 1
3 5 8 1 #Up
4 1 12 1 #Up
5 3 4 1
6 6 9 1 #Down
7 4 5 1
8 4 10 1 #Down
9 5 6 1
10 7 11 1
11 6 1 1
12 13 14 2
13 13 15 1
14 13 16 1
15 14 17 1
16 14 12 1
17 15 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 17 22 2
22 18 23 2
23 19 24 1
24 20 25 2
25 21 26 2
26 23 27 1
27 25 28 1
28 26 29 1
29 26 30 1
30 27 31 1
31 28 32 1
32 20 21 1
33 24 27 2
34 28 29 2
35 1 2 1
36 24 33 1
|
|---|
