Entry |
|
Name |
Saponarin;
Isovitexin-7-O-beta-D-glucopyranoside
|
Formula |
C27H30O15
|
Exact mass |
594.1585
|
Mol weight |
594.5181
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C08064 Saponarin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C08064 Saponarin
Glycosides [BR:br08021]
C-glycosides
C08064 Saponarin
|
Other DBs |
|
KCF data |
ATOM 42
1 C8y C 25.8478 -29.7383
2 C8y C 25.8014 -28.2930
3 C1y C 24.6463 -30.4289
4 C8y C 27.0086 -30.4174
5 C8x C 27.0086 -27.5733
6 O2a O 24.5824 -27.6255
7 O2x O 23.4448 -29.7325
8 C1y C 24.6463 -31.8162
9 C8y C 28.2449 -29.7150
10 O1a O 27.0086 -31.8219
11 C8y C 28.2449 -28.2930
12 C1y C 23.3752 -26.9465
13 C1y C 22.2434 -30.4289
14 C1y C 23.4448 -32.5127
15 O1a O 25.8478 -32.5127
16 C8y C 29.4812 -30.4348
17 O2x O 29.4870 -27.5790
18 O2x O 23.3578 -25.5591
19 C1y C 22.1796 -27.6487
20 C1y C 22.2434 -31.8162
21 C1b C 21.0360 -29.7325
22 O1a O 23.4506 -33.8999
23 C8x C 30.7233 -29.7266
24 O5x O 29.4753 -31.8452
25 C8y C 30.7292 -28.2871
26 C1y C 22.1447 -24.8742
27 C1y C 20.9606 -26.9697
28 O1a O 22.1853 -29.0360
29 O1a O 21.0360 -32.5127
30 O1a O 19.8346 -30.4289
31 C8y C 31.9423 -27.5849
32 C1y C 20.9548 -25.5824
33 C1b C 22.1331 -23.4871
34 O1a O 19.7707 -27.6778
35 C8x C 31.9423 -26.1802
36 C8x C 33.1552 -28.2814
37 O1a O 19.7358 -24.8917
38 O1a O 20.9257 -22.8022
39 C8x C 33.1611 -25.4721
40 C8x C 34.3683 -27.5906
41 C8y C 34.3683 -26.1861
42 O1a O 35.5930 -25.4896
BOND 46
1 1 2 2
2 3 1 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 12 6 1 #Up
12 7 13 1
13 8 14 1
14 8 15 1 #Down
15 9 16 1
16 11 17 1
17 12 18 1
18 12 19 1
19 13 20 1
20 13 21 1 #Up
21 14 22 1 #Up
22 16 23 1
23 16 24 2
24 17 25 1
25 18 26 1
26 19 27 1
27 19 28 1 #Down
28 20 29 1 #Down
29 21 30 1
30 25 31 1
31 26 32 1
32 26 33 1 #Up
33 27 34 1 #Up
34 31 35 1
35 31 36 2
36 32 37 1 #Down
37 33 38 1
38 35 39 2
39 36 40 1
40 39 41 1
41 41 42 1
42 9 11 1
43 14 20 1
44 23 25 2
45 27 32 1
46 40 41 2
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