| Entry |
|
|---|
| Name |
Plantaginin;
Scutellarein 7beta-D-glucopyranoside
|
|---|
| Formula |
C21H20O11
|
|---|
| Exact mass |
448.1006
|
|---|
| Mol weight |
448.3769
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C17056 Plantaginin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavanones
C17056 Plantaginin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1y C 27.9538 -26.3436
2 C1y C 27.9538 -27.7046
3 C1y C 29.1325 -28.3851
4 C1y C 30.3112 -27.7046
5 C1y C 30.3112 -26.3436
6 O2x O 29.1325 -25.6631
7 C8y C 35.3344 -26.3436
8 C8y C 35.3344 -27.7046
9 C8y C 36.5130 -28.3851
10 C8y C 37.6917 -27.7046
11 C8y C 37.6917 -26.3436
12 C8x C 36.5130 -25.6631
13 C8y C 38.8703 -28.3851
14 C8x C 40.0490 -27.7046
15 C8y C 40.0490 -26.3436
16 O2x O 38.8703 -25.6631
17 C8y C 41.2132 -25.6714
18 C8x C 42.3684 -26.3383
19 C8x C 43.5470 -25.6578
20 C8y C 43.5470 -24.2968
21 C8x C 42.3918 -23.6299
22 C8x C 41.2132 -24.3104
23 O1a O 44.7392 -23.6083
24 O5x O 38.8703 -29.7461
25 O1a O 36.5130 -29.7459
26 O1a O 34.1558 -28.3851
27 O2a O 33.1175 -25.3131
28 O1a O 31.5080 -28.3958
29 O1a O 29.1325 -29.7459
30 O1a O 26.7752 -28.3851
31 C1b C 26.7752 -25.6631
32 O1a O 25.6130 -26.3343
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 20 23 1
26 13 24 2
27 9 25 1
28 8 26 1
29 7 27 1
30 5 27 1 #Up
31 4 28 1 #Down
32 3 29 1 #Up
33 2 30 1 #Down
34 1 31 1 #Up
35 31 32 1
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|---|
