| Entry |
|
|---|
| Name |
Malvidin 3-O-glucoside;
Enin;
Malvidin-3-glucoside
|
|---|
| Formula |
C23H25O12
|
|---|
| Exact mass |
493.1346
|
|---|
| Mol weight |
493.4374
|
|---|
| Structure |
|
|---|
| Reaction |
R06550
|
|---|
| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12140 Malvidin 3-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12140 Malvidin 3-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C12140 Malvidin 3-O-glucoside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 35
1 O2a O 26.9618 -34.7072
2 C1y C 28.2717 -35.4757
3 O2x O 28.2717 -36.8670
4 C1y C 29.4827 -34.7771
5 C1y C 29.4827 -37.5656
6 C1y C 30.6818 -35.4757
7 O1a O 29.4827 -33.5258
8 C1y C 30.6818 -36.8670
9 C1b C 29.4827 -38.9570
10 O1a O 31.8927 -34.7771
11 O1a O 31.8927 -37.5598
12 O1a O 28.2776 -39.6556
13 C8y C 26.9805 -31.9109
14 C8y C 25.7638 -32.6038
15 C8x C 28.1854 -32.6154
16 C8x C 26.9805 -30.5196
17 O2x O 24.5528 -31.9052 #+
18 C8y C 25.7579 -34.0067
19 C8y C 29.4021 -31.9285
20 C8y C 28.1971 -29.8210
21 C8y C 23.3361 -32.5921
22 C8x C 24.5411 -34.7053
23 C8y C 29.4080 -30.5255
24 O2a O 30.6072 -32.6271
25 O2a O 28.2030 -28.4181
26 C8y C 23.3303 -33.9951
27 C8x C 22.1310 -31.8993
28 O1a O 30.6189 -29.8269
29 C1a C 31.8239 -31.9401
30 C1a C 26.9921 -27.7195
31 C8y C 22.1310 -34.6996
32 C8y C 20.9202 -32.5921
33 C8x C 20.9202 -33.9951
34 O1a O 22.1310 -36.0968
35 O1a O 19.7034 -31.8993
BOND 38
1 4 7 1 #Down
2 5 8 1
3 5 9 1 #Up
4 6 10 1 #Up
5 8 11 1 #Down
6 9 12 1
7 6 8 1
8 2 1 1 #Up
9 2 3 1
10 2 4 1
11 3 5 1
12 4 6 1
13 13 14 1
14 13 15 2
15 13 16 1
16 14 17 2
17 14 18 1
18 15 19 1
19 16 20 2
20 17 21 1
21 18 22 2
22 19 23 2
23 19 24 1
24 20 25 1
25 21 26 2
26 21 27 1
27 23 28 1
28 24 29 1
29 25 30 1
30 26 31 1
31 27 32 2
32 31 33 2
33 31 34 1
34 32 35 1
35 20 23 1
36 22 26 1
37 32 33 1
38 18 1 1
|
|---|