| Entry |
|
|---|
| Name |
Peonidin 3-O-glucoside;
Peonidin-3-glucoside
|
|---|
| Formula |
C22H23O11
|
|---|
| Exact mass |
463.124
|
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| Mol weight |
463.4114
|
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| Structure |
|
|---|
| Reaction |
R06548
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12141 Peonidin 3-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C12141 Peonidin 3-O-glucoside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 O2a O 26.9205 -33.6927
2 C1y C 28.2308 -34.4614
3 O2x O 28.2308 -35.8532
4 C1y C 29.4422 -33.7626
5 C1y C 29.4422 -36.5520
6 C1y C 30.6417 -34.4614
7 O1a O 29.4422 -32.5109
8 C1y C 30.6417 -35.8532
9 C1b C 29.4422 -37.9439
10 O1a O 31.8529 -33.7626
11 O1a O 31.8529 -36.5462
12 O1a O 28.2368 -38.6427
13 C8y C 25.7267 -31.5905
14 C8y C 26.9438 -30.8917
15 O2x O 24.5155 -30.8860 #+
16 C8y C 25.7910 -32.9939
17 C8x C 28.1493 -31.6022
18 C8x C 26.9438 -29.4941
19 C8y C 23.2984 -31.5789
20 C8x C 24.5039 -33.6811
21 C8y C 29.3664 -30.9033
22 C8x C 28.1609 -28.7952
23 C8y C 23.2925 -32.9822
24 C8x C 22.0871 -30.8800
25 C8y C 29.3721 -29.5000
26 O2a O 30.5718 -31.6022
27 C8y C 22.0871 -33.6811
28 C8y C 20.8818 -31.5789
29 O1a O 30.5776 -28.8069
30 C1a C 31.7830 -30.9093
31 C8x C 20.8818 -32.9822
32 O1a O 22.0930 -35.0729
33 O1a O 19.6704 -30.8860
BOND 36
1 3 5 1
2 4 6 1
3 4 7 1 #Down
4 5 8 1
5 5 9 1 #Up
6 6 10 1 #Up
7 8 11 1 #Down
8 9 12 1
9 6 8 1
10 2 1 1 #Up
11 2 3 1
12 2 4 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 16 1 1
21 17 21 1
22 18 22 2
23 19 23 2
24 19 24 1
25 21 25 2
26 21 26 1
27 23 27 1
28 24 28 2
29 25 29 1
30 26 30 1
31 27 31 2
32 27 32 1
33 28 33 1
34 20 23 1
35 22 25 1
36 28 31 1
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