| Entry |
|
|---|
| Name |
Bracteatin 6-O-glucoside;
Bracteatin 6-O-beta-D-glucoside
|
|---|
| Formula |
C21H20O12
|
|---|
| Exact mass |
464.0955
|
|---|
| Mol weight |
464.3763
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1213 Aurone flavonoids
C16410 Bracteatin 6-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Aurones
C16410 Bracteatin 6-O-glucoside
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 15.6800 -17.2200
2 C8x C 15.6800 -18.6200
3 C8y C 16.9400 -19.3200
4 C8y C 18.1300 -18.6200
5 C8y C 18.1300 -17.2200
6 C8x C 16.9400 -16.5200
7 C5x C 19.4600 -19.0400
8 C2y C 20.3000 -17.9200
9 O2x O 19.4600 -16.8000
10 C2b C 21.6300 -17.9200
11 C8y C 22.3300 -16.7300
12 C8x C 23.7300 -16.7300
13 C8y C 24.4300 -15.5400
14 C8y C 23.7300 -14.2800
15 C8y C 22.3300 -14.2800
16 C8x C 21.6300 -15.5400
17 O1a O 25.8300 -15.5400
18 O1a O 24.4300 -13.0900
19 O5x O 19.8800 -20.3700
20 O1a O 16.9400 -20.7200
21 O2a O 14.4900 -16.5200
22 C1y C 13.3000 -17.2200
23 O2x O 12.1100 -16.5200
24 C1y C 10.8500 -17.2200
25 C1y C 10.8500 -18.6200
26 C1y C 12.0400 -19.3200
27 C1y C 13.3000 -18.6200
28 C1b C 9.6600 -16.5200
29 O1a O 12.0400 -20.7200
30 O1a O 9.6600 -19.3200
31 O1a O 14.4900 -19.3200
32 O1a O 8.4700 -17.2200
33 O1a O 21.6200 -13.0734
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 13 17 1
20 14 18 1
21 7 19 2
22 3 20 1
23 1 21 1
24 22 21 1 #Up
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 24 28 1 #Up
32 26 29 1 #Up
33 25 30 1 #Down
34 27 31 1 #Down
35 28 32 1
36 15 33 1
|
|---|
