| Entry |
|
|---|
| Name |
Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
|
|---|
| Formula |
C36H37O19
|
|---|
| Exact mass |
773.1929
|
|---|
| Mol weight |
773.6676
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16351 Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16351 Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16351 Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 55
1 C8y C 42.0000 -25.9000
2 C8x C 42.0000 -27.3000
3 C8y C 43.1900 -28.0000
4 C8y C 44.3800 -27.3000
5 C8y C 44.3800 -25.9000
6 C8x C 43.1900 -25.2000
7 C8x C 45.6400 -28.0000
8 C8y C 46.8300 -27.3000
9 C8y C 46.8300 -25.9000
10 O2x O 45.6400 -25.2000 #+
11 C8y C 48.0200 -25.2000
12 C8x C 49.2100 -25.9000
13 C8y C 50.4700 -25.1300
14 C8y C 50.4700 -23.7300
15 C8y C 49.2800 -23.1000
16 C8x C 48.0200 -23.8000
17 O2a O 48.0200 -28.0000
18 O1a O 40.7400 -25.2000
19 O2a O 43.1900 -29.4000
20 O1a O 51.6600 -23.0300
21 C1y C 49.2800 -28.7000
22 C1y C 49.2800 -30.1000
23 C1y C 50.4700 -30.8000
24 C1y C 51.6600 -30.1000
25 C1y C 51.6600 -28.7000
26 O2x O 50.4700 -28.0000
27 C1b C 52.8500 -28.0000
28 O1a O 50.4700 -32.2000
29 O1a O 52.9200 -30.8000
30 O1a O 48.0900 -30.8000
31 O1a O 54.1100 -28.7000
32 C1y C 42.0000 -30.1000
33 O2x O 40.7400 -29.4000
34 C1y C 39.5500 -30.1000
35 C1y C 39.5500 -31.5000
36 C1y C 40.7400 -32.2000
37 C1y C 42.0000 -31.5000
38 O1a O 40.7400 -33.6000
39 C1b C 38.2900 -29.4000
40 O7a O 37.1000 -30.1000
41 O1a O 38.2900 -32.2000
42 O1a O 43.1900 -32.2000
43 C7a C 35.9100 -29.4000
44 C2b C 34.7200 -30.1000
45 C2b C 33.5300 -29.4000
46 C8y C 32.2700 -30.1000
47 O6a O 35.9100 -28.0000
48 C8x C 31.0800 -29.4000
49 C8x C 29.8900 -30.1000
50 C8y C 29.8900 -31.5000
51 C8x C 31.0800 -32.2000
52 C8x C 32.2700 -31.5000
53 O1a O 28.6300 -32.2000
54 O1a O 51.6600 -25.8300
55 O1a O 49.2659 -21.7001
BOND 60
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 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 8 17 1
20 1 18 1
21 3 19 1
22 14 20 1
23 21 17 1 #Down
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 25 27 1 #Down
31 23 28 1 #Down
32 24 29 1 #Up
33 22 30 1 #Up
34 27 31 1
35 32 19 1 #Up
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 32 37 1
42 36 38 1 #Up
43 34 39 1 #Up
44 39 40 1
45 35 41 1 #Down
46 37 42 1 #Down
47 40 43 1
48 43 44 1
49 44 45 2
50 45 46 1
51 43 47 2
52 46 48 2
53 48 49 1
54 49 50 2
55 50 51 1
56 51 52 2
57 46 52 1
58 50 53 1
59 13 54 1
60 15 55 1
|
|---|
