| Entry |
|
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| Name |
|
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| Formula |
C51H53O28
|
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| Exact mass |
1113.2723
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| Mol weight |
1113.9497
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| Structure |
|
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| Reaction |
R07924 R07925
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
2.3.1.-
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08641 Gentiodelphin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C08641 Gentiodelphin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C08641 Gentiodelphin
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| Other DBs |
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| KCF data |
ATOM 79
1 C8y C 31.1280 -22.9566
2 C8y C 31.1208 -24.3531
3 C8y C 32.3393 -22.2582
4 O2x O 29.9238 -22.2440 #+
5 C8x C 29.9095 -25.0372
6 O2a O 32.3251 -25.0585
7 C8x C 32.3463 -20.8688
8 C8x C 33.5436 -22.9709
9 C8y C 28.7054 -22.9351
10 C8y C 28.6982 -24.3318
11 C1y C 33.7287 -25.8993
12 C8y C 33.5578 -20.1706
13 C8y C 34.7619 -22.2725
14 C8x C 27.5012 -22.2369
15 C8y C 27.5012 -25.0300
16 O2x O 33.7287 -27.3030
17 C1y C 34.9400 -25.1868
18 O2a O 33.5721 -18.7169
19 C8y C 34.7691 -20.8760
20 O1a O 35.9732 -22.9779
21 C8y C 26.2899 -22.9351
22 O2a O 27.5084 -26.4052
23 C8x C 26.2899 -24.3318
24 C1y C 34.9400 -27.9942
25 C1y C 36.1513 -25.8993
26 O1a O 34.9472 -23.7902
27 C1y C 32.2965 -18.0900
28 O1a O 35.9804 -20.1849
29 O1a O 25.0716 -22.2369
30 C1y C 26.2899 -27.1391
31 C1y C 36.1513 -27.3030
32 C1b C 34.9472 -29.3908
33 O1a O 37.3698 -25.1868
34 O2x O 32.2965 -16.6934
35 C1y C 31.0925 -18.7882
36 O2x O 25.0858 -26.4337
37 C1y C 26.2899 -28.5358
38 O1a O 37.3698 -27.9942
39 O1a O 33.7359 -30.0960
40 C1y C 31.0925 -15.9951
41 C1y C 29.8740 -18.0900
42 O1a O 31.0925 -20.1849
43 C1y C 23.8673 -27.1391
44 C1y C 25.0858 -29.2340
45 O1a O 27.5012 -29.2340
46 C1y C 29.8740 -16.6934
47 C1b C 31.0925 -14.5915
48 O1a O 28.6627 -18.7882
49 C1y C 23.8673 -28.5358
50 C1b C 22.6631 -26.4266
51 O1a O 25.0858 -30.6306
52 O1a O 28.6627 -15.9951
53 O7a O 29.8740 -13.8933
54 O1a O 22.6631 -29.2340
55 O7a O 22.6631 -25.0300
56 C7a C 29.8740 -12.5037
57 C7a C 22.6275 -23.7832
58 C2b C 28.6627 -11.8054
59 O6a O 31.0925 -11.8054
60 C2b C 21.4233 -23.0920
61 O6a O 23.8460 -23.0920
62 C2b C 27.4584 -12.5109
63 C2b C 20.2120 -23.7832
64 C8y C 26.2471 -11.8197
65 C8y C 19.0707 -23.0920
66 C8x C 25.0431 -12.5109
67 C8x C 26.2471 -10.4018
68 C8x C 17.7894 -23.7902
69 C8x C 19.0079 -21.6953
70 C8y C 23.8318 -11.8197
71 C8x C 25.0431 -9.7036
72 C8y C 16.5853 -23.0920
73 C8x C 17.7894 -20.9971
74 C8y C 23.8318 -10.4018
75 O1a O 22.6205 -12.5109
76 C8y C 16.5853 -21.6953
77 O1a O 15.3811 -23.7902
78 O1a O 22.6205 -9.7036
79 O1a O 15.3811 -20.9971
BOND 86
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 11 6 1 #Up
11 7 12 2
12 8 13 1
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1
17 12 18 1
18 12 19 1
19 13 20 1
20 14 21 2
21 15 22 1
22 15 23 2
23 16 24 1
24 17 25 1
25 17 26 1 #Down
26 27 18 1 #Up
27 19 28 1
28 21 29 1
29 30 22 1 #Up
30 24 31 1
31 24 32 1 #Up
32 25 33 1 #Up
33 27 34 1
34 27 35 1
35 30 36 1
36 30 37 1
37 31 38 1 #Down
38 32 39 1
39 34 40 1
40 35 41 1
41 35 42 1 #Down
42 36 43 1
43 37 44 1
44 37 45 1 #Down
45 40 46 1
46 40 47 1 #Up
47 41 48 1 #Up
48 43 49 1
49 43 50 1 #Up
50 44 51 1 #Up
51 46 52 1 #Down
52 47 53 1
53 49 54 1 #Down
54 50 55 1
55 53 56 1
56 55 57 1
57 56 58 1
58 56 59 2
59 57 60 1
60 57 61 2
61 58 62 2
62 60 63 2
63 62 64 1
64 63 65 1
65 64 66 2
66 64 67 1
67 65 68 1
68 65 69 2
69 66 70 1
70 67 71 2
71 68 72 2
72 69 73 1
73 70 74 2
74 70 75 1
75 72 76 1
76 72 77 1
77 74 78 1
78 76 79 1
79 9 10 2
80 13 19 2
81 21 23 1
82 25 31 1
83 41 46 1
84 44 49 1
85 71 74 1
86 73 76 2
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