Entry |
|
Name |
Isoflavone 7-O-beta-D-glucoside
|
Formula |
C21H20O8
|
Exact mass |
400.1158
|
Mol weight |
400.3787
|
Structure |
|
Comment |
Generic compound in reaction hierarchy
|
Reaction |
|
Enzyme |
|
Brite |
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C04074 Isoflavone 7-O-beta-D-glucoside
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 29
1 C8y C 19.7762 -16.8763
2 C8y C 19.7762 -15.4668
3 C8x C 18.5588 -17.5876
4 O2x O 21.0128 -17.5813
5 C8y C 20.9999 -14.7492
6 C8x C 18.5588 -14.7685
7 C8y C 17.3479 -16.8763
8 C8x C 22.2430 -16.8828
9 C8y C 22.2302 -15.4540
10 O5x O 20.9936 -13.3588
11 C8x C 17.3479 -15.4668
12 O2a O 16.1370 -17.5685
13 C8y C 23.4346 -14.7557
14 C1y C 14.9259 -18.2604
15 C8x C 24.6457 -15.4476
16 C8x C 23.4283 -13.3716
17 O2x O 13.7086 -17.5685
18 C1y C 14.9259 -19.6571
19 C8x C 25.8566 -14.7492
20 C8x C 24.6264 -12.6605
21 C1y C 12.5040 -18.2604
22 C1y C 13.7086 -20.3556
23 O1a O 16.1370 -20.3556
24 C8x C 25.8438 -13.3525
25 C1y C 12.5040 -19.6636
26 C1b C 11.3123 -17.5685
27 O1a O 13.7086 -21.7458
28 O1a O 11.3123 -20.3556
29 O1a O 10.2422 -18.4653
BOND 32
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 9 13 1
13 14 12 1 #Up
14 13 15 2
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 1
19 16 20 2
20 17 21 1
21 18 22 1
22 18 23 1 #Down
23 19 24 2
24 21 25 1
25 21 26 1 #Up
26 22 27 1 #Up
27 25 28 1 #Down
28 26 29 1
29 7 11 2
30 8 9 2
31 20 24 1
32 22 25 1
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