| Entry |
|
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| Name |
Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
|
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| Formula |
C42H47O23
|
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| Exact mass |
919.2508
|
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| Mol weight |
919.8088
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| Structure |
|
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| Reaction |
R07904 R07905 R07907
|
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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
C16294 Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16294 Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16294 Delphinidin-3-(p-coumaroyl)-rutinoside-5-glucoside
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| Other DBs |
|
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| KCF data |
ATOM 65
1 C8y C 29.5559 -22.3488
2 C8y C 29.5559 -20.9452
3 C8x C 28.4331 -20.2434
4 C8y C 27.1698 -20.9452
5 C8x C 27.1698 -22.3488
6 C8y C 28.4331 -23.0506
7 C8x C 30.6788 -23.0506
8 C8y C 31.9420 -22.3488
9 C8y C 31.9420 -20.9452
10 O2x O 30.6788 -20.2434 #+
11 O2a O 28.4331 -24.4542
12 O1a O 25.9768 -20.2434
13 C8y C 33.1351 -20.2434
14 C8x C 34.3281 -20.9452
15 C8y C 35.5914 -20.2434
16 C8y C 35.5914 -18.8398
17 C8y C 34.3983 -18.1381
18 C8x C 33.1351 -18.8398
19 O1a O 36.7844 -18.1381
20 O2a O 33.1351 -23.0506
21 C1y C 27.2400 -25.1560
22 O2x O 26.0470 -24.4542
23 C1y C 24.7837 -25.1560
24 C1y C 24.7837 -26.6298
25 C1y C 25.9768 -27.3316
26 C1y C 27.2400 -26.6298
27 C1b C 23.5205 -24.4542
28 O1a O 22.3275 -25.1560
29 O1a O 23.5205 -27.3316
30 O1a O 25.9768 -28.7351
31 O1a O 28.4331 -27.3316
32 O1a O 36.7844 -21.0154
33 O1a O 34.3983 -16.7345
34 C1y C 34.3983 -23.7524
35 C1y C 34.3983 -25.0858
36 C1y C 35.5914 -25.7876
37 C1y C 36.7844 -25.0858
38 C1y C 36.7844 -23.7524
39 O2x O 35.5914 -23.0506
40 O1a O 38.0477 -25.7876
41 O1a O 33.1351 -25.8578
42 C1b C 38.0477 -23.0506
43 O1a O 35.5914 -27.1912
44 O2a O 39.2407 -23.6822
45 C1y C 40.4338 -23.0506
46 C1y C 41.6268 -23.6822
47 C1y C 42.8199 -22.9804
48 C1y C 42.8199 -21.5768
49 C1y C 41.6268 -20.9452
50 O2x O 40.4338 -21.6470
51 C1a C 41.6268 -19.5416
52 O7a O 44.0129 -20.8750
53 O1a O 44.0129 -23.7524
54 O1a O 41.6268 -25.0858
55 C7a C 45.2060 -21.6470
56 C2b C 46.4692 -20.9452
57 C2b C 47.6622 -21.6470
58 C8y C 48.8553 -20.9452
59 O6a O 45.2060 -23.0506
60 C8x C 50.0483 -21.5768
61 C8x C 51.3116 -20.8750
62 C8y C 51.3116 -19.4715
63 C8x C 50.1185 -18.8398
64 C8x C 48.8553 -19.5416
65 O1a O 52.5046 -18.7697
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 17 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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