| Entry |
|
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| Name |
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
|
|---|
| Formula |
C43H49O23
|
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| Exact mass |
933.2665
|
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| Mol weight |
933.8354
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| Structure |
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| Reaction |
R07905 R07906
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.1.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16295 Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16295 Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16295 Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside
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| Other DBs |
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| KCF data |
ATOM 66
1 C8y C 34.1600 -32.4800
2 C8y C 34.1600 -31.0800
3 C8x C 33.0400 -30.3800
4 C8y C 31.7800 -31.0800
5 C8x C 31.7800 -32.4800
6 C8y C 33.0400 -33.1800
7 C8x C 35.2800 -33.1800
8 C8y C 36.5400 -32.4800
9 C8y C 36.5400 -31.0800
10 O2x O 35.2800 -30.3800 #+
11 O2a O 33.0400 -34.5800
12 O1a O 30.5900 -30.3800
13 C8y C 37.7300 -30.3800
14 C8x C 38.9200 -31.0800
15 C8y C 40.1800 -30.3800
16 C8y C 40.1800 -28.9800
17 C8y C 38.9900 -28.2800
18 C8x C 37.7300 -28.9800
19 O1a O 41.3700 -28.2800
20 O2a O 37.7300 -33.1800
21 C1y C 31.8500 -35.2800
22 O2x O 30.6600 -34.5800
23 C1y C 29.4000 -35.2800
24 C1y C 29.4000 -36.7500
25 C1y C 30.5900 -37.4500
26 C1y C 31.8500 -36.7500
27 C1b C 28.1400 -34.5800
28 O1a O 26.9500 -35.2800
29 O1a O 28.1400 -37.4500
30 O1a O 30.5900 -38.8500
31 O1a O 33.0400 -37.4500
32 O2a O 41.3700 -31.1500
33 O1a O 38.9900 -26.8800
34 C1a C 42.6300 -30.4500
35 C1y C 38.9900 -33.8800
36 C1y C 38.9900 -35.2100
37 C1y C 40.1800 -35.9100
38 C1y C 41.3700 -35.2100
39 C1y C 41.3700 -33.8800
40 O2x O 40.1800 -33.1800
41 O1a O 42.6300 -35.9100
42 O1a O 37.7300 -35.9800
43 C1b C 42.6300 -33.1800
44 O1a O 40.1800 -37.3100
45 O2a O 43.8200 -33.8100
46 C1y C 45.0100 -33.1800
47 C1y C 46.2000 -33.8100
48 C1y C 47.3900 -33.1100
49 C1y C 47.3900 -31.7100
50 C1y C 46.2000 -31.0800
51 O2x O 45.0100 -31.7800
52 C1a C 46.2000 -29.6800
53 O7a O 48.5800 -31.0100
54 O1a O 48.5800 -33.8800
55 O1a O 46.2000 -35.2100
56 C7a C 49.7700 -31.7800
57 C2b C 51.0300 -31.0800
58 C2b C 52.2200 -31.7800
59 C8y C 53.4100 -31.0800
60 O6a O 49.7700 -33.1800
61 C8x C 54.6000 -31.7100
62 C8x C 55.8600 -31.0100
63 C8y C 55.8600 -29.6100
64 C8x C 54.6700 -28.9800
65 C8x C 53.4100 -29.6800
66 O1a O 57.0500 -28.9100
BOND 72
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 17 33 1
37 32 34 1
38 35 20 1 #Down
39 35 36 1
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 35 40 1
45 38 41 1 #Up
46 36 42 1 #Up
47 39 43 1 #Down
48 37 44 1 #Down
49 43 45 1
50 46 45 1 #Down
51 46 47 1
52 47 48 1
53 48 49 1
54 49 50 1
55 50 51 1
56 46 51 1
57 50 52 1 #Up
58 49 53 1 #Down
59 48 54 1 #Up
60 47 55 1 #Up
61 53 56 1
62 56 57 1
63 57 58 2
64 58 59 1
65 56 60 2
66 59 61 2
67 61 62 1
68 62 63 2
69 63 64 1
70 64 65 2
71 59 65 1
72 63 66 1
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