| Entry |
|
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| Name |
Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside
|
|---|
| Formula |
C43H49O22
|
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| Exact mass |
917.2715
|
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| Mol weight |
917.836
|
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| Structure |
|
|---|
| Reaction |
R07901
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.1.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16293 Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16293 Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C16293 Peonidin-3-(p-coumaroyl)-rutinoside-5-glucoside
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| Other DBs |
|
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| KCF data |
ATOM 65
1 C8y C 33.6700 -37.5900
2 C8y C 33.6700 -36.1900
3 C8x C 32.5500 -35.4900
4 C8y C 31.2900 -36.1900
5 C8x C 31.2900 -37.5900
6 C8y C 32.5500 -38.2900
7 C8x C 34.7900 -38.2900
8 C8y C 36.0500 -37.5900
9 C8y C 36.0500 -36.1900
10 O2x O 34.7900 -35.4900 #+
11 O2a O 32.5500 -39.6900
12 O1a O 30.1000 -35.4900
13 C8y C 37.2400 -35.4900
14 C8x C 38.4300 -36.1900
15 C8y C 39.6900 -35.4900
16 C8y C 39.6900 -34.0900
17 C8x C 38.5000 -33.3900
18 C8x C 37.2400 -34.0900
19 O1a O 40.8800 -33.3900
20 O2a O 37.2400 -38.2900
21 C1y C 31.3600 -40.3900
22 O2x O 30.1700 -39.6900
23 C1y C 28.9100 -40.3900
24 C1y C 28.9100 -41.8600
25 C1y C 30.1000 -42.5600
26 C1y C 31.3600 -41.8600
27 C1b C 27.6500 -39.6900
28 O1a O 26.4600 -40.3900
29 O1a O 27.6500 -42.5600
30 O1a O 30.1000 -43.9600
31 O1a O 32.5500 -42.5600
32 O2a O 40.8800 -36.2600
33 C1a C 42.1400 -35.5600
34 C1y C 38.5000 -38.9900
35 C1y C 38.5000 -40.3200
36 C1y C 39.6900 -41.0200
37 C1y C 40.8800 -40.3200
38 C1y C 40.8800 -38.9900
39 O2x O 39.6900 -38.2900
40 O1a O 42.1400 -41.0200
41 O1a O 37.2400 -41.0900
42 C1b C 42.1400 -38.2900
43 O1a O 39.6900 -42.4200
44 O2a O 43.3300 -38.9200
45 C1y C 44.5200 -38.2900
46 C1y C 45.7100 -38.9200
47 C1y C 46.9000 -38.2200
48 C1y C 46.9000 -36.8200
49 C1y C 45.7100 -36.1900
50 O2x O 44.5200 -36.8900
51 C1a C 45.7100 -34.7900
52 O7a O 48.0900 -36.1200
53 O1a O 48.0900 -38.9900
54 O1a O 45.7100 -40.3200
55 C7a C 49.2800 -36.8900
56 C2b C 50.5400 -36.1900
57 C2b C 51.7300 -36.8900
58 C8y C 52.9200 -36.1900
59 O6a O 49.2800 -38.2900
60 C8x C 54.1100 -36.8200
61 C8x C 55.3700 -36.1200
62 C8y C 55.3700 -34.7200
63 C8x C 54.1800 -34.0900
64 C8x C 52.9200 -34.7900
65 O1a O 56.5600 -34.0200
BOND 71
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 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 6 11 1
13 4 12 1
14 9 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 8 20 1
23 21 11 1 #Up
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 23 27 1 #Up
31 27 28 1
32 24 29 1 #Down
33 25 30 1 #Up
34 26 31 1 #Down
35 15 32 1
36 32 33 1
37 34 20 1 #Down
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 38 39 1
43 34 39 1
44 37 40 1 #Up
45 35 41 1 #Up
46 38 42 1 #Down
47 36 43 1 #Down
48 42 44 1
49 45 44 1 #Down
50 45 46 1
51 46 47 1
52 47 48 1
53 48 49 1
54 49 50 1
55 45 50 1
56 49 51 1 #Up
57 48 52 1 #Down
58 47 53 1 #Up
59 46 54 1 #Up
60 52 55 1
61 55 56 1
62 56 57 2
63 57 58 1
64 55 59 2
65 58 60 2
66 60 61 1
67 61 62 2
68 62 63 1
69 63 64 2
70 58 64 1
71 62 65 1
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