| Entry |
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| Name |
Delphinidin 3-glucoside 5-caffoyl-glucoside
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| Formula |
C36H37O20
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| Exact mass |
789.1878
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| Mol weight |
789.667
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| Structure |
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| Reaction |
R07923 R07944
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
2.3.1.153 2.4.1.238
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16313 Delphinidin 3-glucoside 5-caffoyl-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16313 Delphinidin 3-glucoside 5-caffoyl-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16313 Delphinidin 3-glucoside 5-caffoyl-glucoside
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| Other DBs |
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| KCF data |
ATOM 56
1 C8y C 40.1100 -27.9300
2 C8y C 40.1100 -26.5300
3 C8x C 38.9200 -25.8300
4 C8y C 37.7300 -26.5300
5 C8x C 37.7300 -27.9300
6 C8y C 38.9200 -28.6300
7 C8x C 41.3700 -28.6300
8 C8y C 42.5600 -27.9300
9 C8y C 42.5600 -26.5300
10 O2x O 41.3700 -25.8300 #+
11 C8y C 43.8200 -25.8300
12 C8x C 45.0100 -26.5300
13 C8y C 46.2000 -25.8300
14 C8y C 46.2000 -24.4300
15 C8y C 45.0100 -23.7300
16 C8x C 43.8200 -24.4300
17 O1a O 45.0100 -22.3300
18 O1a O 47.4600 -23.7300
19 O1a O 47.4600 -26.5300
20 O2a O 43.8200 -28.6300
21 O2a O 38.9200 -30.0300
22 O1a O 36.4700 -25.8300
23 C1y C 37.7300 -30.7300
24 O2x O 36.5400 -30.0300
25 C1y C 35.3500 -30.7300
26 C1y C 35.3500 -32.1300
27 C1y C 36.5400 -32.8300
28 C1y C 37.7300 -32.1300
29 C1b C 34.0900 -30.0300
30 O1a O 36.5400 -34.2300
31 O1a O 34.0900 -32.9000
32 O1a O 38.9900 -32.8300
33 O7a O 32.9000 -30.7300
34 C1y C 45.0100 -29.3300
35 C1y C 45.0100 -30.7300
36 C1y C 46.2000 -31.4300
37 C1y C 47.4600 -30.7300
38 C1y C 47.4600 -29.3300
39 O2x O 46.2000 -28.6300
40 C1b C 48.6500 -28.6300
41 O1a O 46.2000 -32.8300
42 O1a O 43.8200 -31.4300
43 O1a O 48.6500 -31.4300
44 O1a O 49.8400 -29.3300
45 C7a C 31.6876 -30.0300
46 C2b C 30.4751 -30.7300
47 C2b C 29.2627 -30.0300
48 C8y C 28.0503 -30.7300
49 O6a O 31.6876 -28.6302
50 C8x C 26.8527 -30.0385
51 C8y C 25.6402 -30.7384
52 C8y C 25.6401 -32.1384
53 C8x C 26.8376 -32.8299
54 C8x C 28.0501 -32.1300
55 O1a O 24.4163 -32.8450
56 O1a O 24.4091 -30.0274
BOND 61
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 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 15 17 1
20 14 18 1
21 13 19 1
22 8 20 1
23 6 21 1
24 4 22 1
25 23 21 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 25 29 1 #Up
33 27 30 1 #Up
34 26 31 1 #Down
35 28 32 1 #Down
36 29 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 38 40 1 #Down
45 36 41 1 #Down
46 35 42 1 #Up
47 37 43 1 #Up
48 40 44 1
49 33 45 1
50 45 46 1
51 46 47 2
52 47 48 1
53 45 49 2
54 48 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 53 54 2
59 48 54 1
60 52 55 1
61 51 56 1
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