| Entry |
|
|---|
| Name |
Delphinidin 3-O-glucoside;
Mirtillin;
Delphinidin 3-glucoside;
Delphinidin 3-O-beta-D-glucoside
|
|---|
| Formula |
C21H21O12
|
|---|
| Exact mass |
465.1033
|
|---|
| Mol weight |
465.3842
|
|---|
| Structure |
|
|---|
| Reaction |
R06536 R06549 R06550 R07879 R07903 R07911 R07926 R07929
R07938 R10292 R10297 R10299
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
2.3.1.171 2.3.1.215 2.4.1.115 2.4.1.297
2.4.1.298 2.4.1.299 2.4.1.300 2.4.1.-
2.4.2.51
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12138 Delphinidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12138 Delphinidin 3-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C12138 Delphinidin 3-O-glucoside
|
|---|
| Other DBs |
| CAS: | 6906-38-3 50986-17-9 |
| KNApSAcK: | C00006698 C00038964 |
|
|---|
| KCF data |
ATOM 33
1 C8y C 28.8771 -15.5636
2 C8y C 28.9411 -16.9644
3 C8y C 30.0969 -14.8633
4 O2x O 27.6689 -14.8516 #+
5 O2a O 29.9742 -17.6005
6 C8x C 27.6572 -17.6589
7 C8x C 31.3108 -15.5694
8 C8x C 30.0969 -13.4568
9 C8y C 26.4491 -15.5520
10 C1y C 31.2874 -18.3709
11 C8y C 26.4432 -16.9527
12 C8y C 32.5306 -14.8690
13 C8y C 31.3167 -12.7564
14 C8x C 25.2350 -14.8458
15 O2x O 31.2874 -19.7658
16 C1y C 32.5015 -17.6705
17 C8y C 25.2350 -17.6531
18 C8y C 32.5364 -13.4625
19 C8y C 24.0211 -15.5520
20 C1y C 32.5015 -20.4661
21 C1y C 33.7037 -18.3709
22 O1a O 32.5015 -16.2757
23 C8x C 24.0211 -16.9527
24 O1a O 25.2350 -19.0480
25 O1a O 33.7445 -12.7680
26 O1a O 22.8130 -14.8575
27 C1y C 33.7037 -19.7658
28 C1b C 32.5015 -21.8612
29 O1a O 34.9176 -17.6705
30 O1a O 34.9176 -20.4604
31 O1a O 31.2934 -22.5615
32 O1a O 31.3193 -11.3600
33 O1a O 33.7376 -15.5711
BOND 36
1 1 3 1
2 1 4 2
3 2 5 1
4 2 6 2
5 3 7 2
6 3 8 1
7 4 9 1
8 10 5 1 #Up
9 6 11 1
10 7 12 1
11 8 13 2
12 9 14 1
13 10 15 1
14 10 16 1
15 11 17 1
16 12 18 2
17 14 19 2
18 15 20 1
19 16 21 1
20 16 22 1 #Down
21 17 23 2
22 17 24 1
23 18 25 1
24 19 26 1
25 20 27 1
26 20 28 1 #Up
27 21 29 1 #Up
28 27 30 1 #Down
29 28 31 1
30 9 11 2
31 13 18 1
32 19 23 1
33 21 27 1
34 13 32 1
35 1 2 1
36 12 33 1
|
|---|