| Entry |
|
|---|
| Name |
Delphinidin 3-O-sophoroside
|
|---|
| Formula |
C27H31O17
|
|---|
| Exact mass |
627.1561
|
|---|
| Mol weight |
627.5248
|
|---|
| Structure |
|
|---|
| Reaction |
R07879
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.4.1.297
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16307 Delphinidin 3-O-sophoroside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16307 Delphinidin 3-O-sophoroside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16307 Delphinidin 3-O-sophoroside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 44
1 C8y C 35.9782 -25.1288
2 C8x C 35.9782 -26.5987
3 C8y C 37.1682 -27.2987
4 C8y C 38.4281 -26.5987
5 C8y C 38.4281 -25.1288
6 C8x C 37.1682 -24.4288
7 C8x C 39.6181 -27.2987
8 C8y C 40.8080 -26.5987
9 C8y C 40.8080 -25.1288
10 O2x O 39.6181 -24.4288 #+
11 C8y C 41.9280 -24.4288
12 C8x C 43.1179 -25.1288
13 C8y C 44.3778 -24.4288
14 C8y C 44.3778 -23.0289
15 C8y C 43.1879 -22.2589
16 C8x C 41.9280 -23.0289
17 O1a O 45.5678 -22.2589
18 O1a O 37.1682 -28.6986
19 O1a O 34.7883 -24.4288
20 O2a O 41.9280 -27.2987
21 C1y C 43.1879 -27.9986
22 C1y C 43.1879 -29.3986
23 C1y C 44.3778 -30.0985
24 C1y C 45.5678 -29.3986
25 C1y C 45.5678 -27.9986
26 O2x O 44.3778 -27.2987
27 C1b C 46.7577 -27.2987
28 O1a O 47.9477 -27.9986
29 O1a O 44.3778 -31.5685
30 O1a O 46.7577 -30.0985
31 O2a O 41.9979 -30.0985
32 C1y C 41.9979 -31.5685
33 C1y C 40.8080 -32.2684
34 C1y C 40.8080 -33.6684
35 C1y C 41.9979 -34.3683
36 C1y C 43.1879 -33.6684
37 O2x O 43.1879 -32.2684
38 C1b C 44.3778 -34.3683
39 O1a O 41.9979 -35.7683
40 O1a O 39.6181 -34.3683
41 O1a O 39.6181 -31.5685
42 O1a O 45.5678 -25.1288
43 O1a O 43.1879 -20.8590
44 O1a O 45.5968 -33.6777
BOND 48
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 14 17 1
20 3 18 1
21 1 19 1
22 8 20 1
23 21 20 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 27 28 1
32 23 29 1 #Down
33 24 30 1 #Up
34 22 31 1 #Up
35 32 31 1 #Down
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 #Down
43 35 39 1 #Up
44 34 40 1 #Down
45 33 41 1 #Up
46 13 42 1
47 15 43 1
48 38 44 1
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