| Entry |
|
|---|
| Name |
Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
|
|---|
| Formula |
C32H39O21
|
|---|
| Exact mass |
759.1984
|
|---|
| Mol weight |
759.6395
|
|---|
| Structure |
|
|---|
| Reaction |
R10295
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.4.1.295
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20494 Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C20494 Delphinidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 53
1 C1y C 11.9755 -18.8357
2 C1y C 11.9755 -20.2237
3 O2x O 13.1777 -18.1330
4 C1b C 10.7733 -18.1330
5 C1y C 13.1777 -20.9206
6 O1a O 10.7733 -20.9206
7 C1y C 14.3916 -18.8298
8 O1a O 9.7104 -19.0332
9 C1y C 14.3916 -20.2237
10 O1a O 13.1834 -22.3146
11 O1a O 15.5995 -20.9206
12 C1y C 24.0901 -14.7354
13 O2x O 24.0901 -16.0834
14 C1x C 25.2575 -16.7575
15 C1y C 26.4252 -16.0834
16 C1y C 26.4252 -14.7354
17 C1y C 25.2575 -14.0613
18 O1a O 27.6106 -16.7681
19 O1a O 27.6106 -14.0507
20 O1a O 25.2575 -12.7134
21 C8y C 18.7468 -14.1159
22 C8y C 18.7410 -15.4691
23 C8y C 19.8554 -13.4394
24 O2x O 17.5099 -13.4280 #+
25 O2a O 19.6693 -16.8925
26 C8x C 17.4986 -16.1398
27 C8x C 21.0279 -14.1215
28 C8x C 19.8554 -12.0807
29 C8y C 16.3315 -14.1047
30 C1y C 21.0053 -18.1760
31 C8y C 16.3259 -15.4579
32 C8y C 22.2761 -13.4449
33 C8y C 21.0335 -11.4042
34 C8x C 15.1589 -13.4226
35 O2x O 21.0053 -19.5233
36 C1y C 22.1782 -17.4992
37 C8y C 15.1589 -16.1343
38 C8y C 22.2818 -12.0862
39 C8y C 13.9862 -14.1047
40 C1y C 22.1782 -20.1997
41 C1y C 23.3395 -18.1760
42 O2a O 22.2455 -16.0175
43 C8x C 13.9862 -15.4579
44 O2a O 15.1589 -17.4816
45 O1a O 23.3788 -11.4153
46 O1a O 12.8191 -13.4338
47 C1y C 23.3395 -19.5233
48 C1b C 22.1782 -21.5473
49 O1a O 24.5120 -17.4992
50 O1a O 24.5120 -20.1943
51 O1a O 21.0110 -22.2240
52 O1a O 20.9659 -10.0026
53 O1a O 23.4635 -14.0152
BOND 58
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 12 17 1
18 15 18 1 #Down
19 16 19 1 #Up
20 17 20 1 #Down
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 22 26 2
26 23 27 2
27 23 28 1
28 24 29 1
29 30 25 1 #Up
30 26 31 1
31 27 32 1
32 28 33 2
33 29 34 1
34 30 35 1
35 30 36 1
36 31 37 1
37 32 38 2
38 34 39 2
39 35 40 1
40 36 41 1
41 36 42 1 #Down
42 37 43 2
43 37 44 1
44 38 45 1
45 39 46 1
46 40 47 1
47 40 48 1 #Up
48 41 49 1 #Up
49 47 50 1 #Down
50 48 51 1
51 29 31 2
52 33 38 1
53 39 43 1
54 41 47 1
55 12 42 1 #Up
56 7 44 1 #Up
57 33 52 1
58 32 53 1
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