| Entry |
|
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| Name |
Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside
|
|---|
| Formula |
C44H51O23
|
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| Exact mass |
947.2821
|
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| Mol weight |
947.8619
|
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| Structure |
|
|---|
| Reaction |
R07906 R07907
|
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
|---|
| Enzyme |
2.1.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16296 Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16296 Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16296 Malvidin-3-(p-coumaroyl)-rutinoside-5-glucoside
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| Other DBs |
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| KCF data |
ATOM 67
1 C8y C 34.8661 -26.8847
2 C8y C 34.8661 -25.4844
3 C8x C 33.6759 -24.7843
4 C8y C 32.4157 -25.4844
5 C8x C 32.4157 -26.8847
6 C8y C 33.6759 -27.5848
7 C8x C 35.9863 -27.5848
8 C8y C 37.2465 -26.8847
9 C8y C 37.2465 -25.4844
10 O2x O 35.9863 -24.7843 #+
11 O2a O 33.6759 -28.9851
12 O1a O 31.2254 -24.7843
13 C8y C 38.4367 -24.7843
14 C8x C 39.6269 -25.4844
15 C8y C 40.8871 -24.7843
16 C8y C 40.8871 -23.3841
17 C8y C 39.6969 -22.6840
18 C8x C 38.4367 -23.3841
19 O1a O 42.0773 -22.6840
20 O2a O 38.4367 -27.5848
21 C1y C 32.4857 -29.6852
22 O2x O 31.2955 -28.9851
23 C1y C 30.0352 -29.6852
24 C1y C 30.0352 -31.1554
25 C1y C 31.2254 -31.8556
26 C1y C 32.4857 -31.1554
27 C1b C 28.7750 -28.9851
28 O1a O 27.5848 -29.6852
29 O1a O 28.7750 -31.8556
30 O1a O 31.2254 -33.2558
31 O1a O 33.6759 -31.8556
32 O2a O 42.0773 -25.5545
33 O2a O 39.6969 -21.2837
34 C1a C 43.3376 -24.8543
35 C1a C 38.5067 -20.5836
36 C1y C 39.6491 -28.2848
37 C1y C 39.6490 -29.6797
38 C1y C 40.8614 -30.3798
39 C1y C 42.0739 -29.6799
40 C1y C 42.0740 -28.2850
41 O2x O 40.8616 -27.5849
42 O1a O 43.2834 -30.3783
43 O1a O 38.4148 -30.3924
44 C1b C 43.2856 -27.5856
45 O1a O 40.8613 -31.7799
46 O2a O 44.4763 -28.2733
47 C1y C 45.6661 -27.5864
48 C1y C 46.8560 -28.2737
49 C1y C 48.0686 -27.5739
50 C1y C 48.0688 -26.1739
51 C1y C 46.8789 -25.4867
52 O2x O 45.6664 -26.1864
53 C1a C 46.8791 -24.0802
54 O7a O 49.2945 -25.4664
55 O1a O 49.2995 -28.2850
56 O1a O 46.8559 -29.6798
57 C7a C 50.4924 -26.1800
58 C2b C 51.7049 -25.4800
59 C2b C 52.9173 -26.1800
60 C8y C 54.1297 -25.4800
61 O6a O 50.4829 -27.5799
62 C8x C 55.3273 -26.1715
63 C8x C 56.5398 -25.4716
64 C8y C 56.5399 -24.0716
65 C8x C 55.3424 -23.3801
66 C8x C 54.1299 -24.0800
67 O1a O 57.7637 -23.3650
BOND 73
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 33 35 1
39 36 20 1 #Down
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 36 41 1
46 39 42 1 #Up
47 37 43 1 #Up
48 40 44 1 #Down
49 38 45 1 #Down
50 44 46 1
51 47 46 1 #Down
52 47 48 1
53 48 49 1
54 49 50 1
55 50 51 1
56 51 52 1
57 47 52 1
58 51 53 1 #Up
59 50 54 1 #Down
60 49 55 1 #Up
61 48 56 1 #Up
62 54 57 1
63 57 58 1
64 58 59 2
65 59 60 1
66 57 61 2
67 60 62 2
68 62 63 1
69 63 64 2
70 64 65 1
71 65 66 2
72 60 66 1
73 64 67 1
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