| Entry |
|
|---|
| Name |
Albireodelphin;
Delphinidin 3,3'-diglucoside 5-(6-caffeoyl)glucoside
|
|---|
| Formula |
C42H47O25
|
|---|
| Exact mass |
951.2406
|
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| Mol weight |
951.8076
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C16354 Delphinidin 3,3'-diglucoside 5-(6-caffeoyl)glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C16354 Albireodelphin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated delphinidin
C16354 Albireodelphin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 67
1 C8y C 20.1600 -16.5200
2 C8y C 20.1600 -15.1200
3 C8x C 18.9700 -14.4200
4 C8y C 17.7800 -15.1200
5 C8x C 17.7800 -16.5200
6 C8y C 18.9700 -17.2200
7 C8x C 21.4200 -17.2200
8 C8y C 22.6100 -16.5200
9 C8y C 22.6100 -15.1200
10 O2x O 21.4200 -14.4200 #+
11 C8y C 23.8700 -14.4200
12 C8x C 25.0600 -15.1200
13 C8y C 26.2500 -14.4200
14 C8y C 26.2500 -13.0200
15 C8y C 25.0600 -12.3200
16 C8x C 23.8700 -13.0200
17 O2a O 25.0600 -10.9200
18 O1a O 27.5100 -12.3200
19 O1a O 27.5100 -15.1200
20 O2a O 23.8700 -17.2200
21 O2a O 18.9700 -18.6200
22 O1a O 16.5200 -14.4200
23 C1y C 17.7800 -19.3200
24 O2x O 16.5900 -18.6200
25 C1y C 15.4000 -19.3200
26 C1y C 15.4000 -20.7200
27 C1y C 16.5900 -21.4200
28 C1y C 17.7800 -20.7200
29 C1b C 14.2100 -18.6200
30 O1a O 16.5900 -22.8200
31 O1a O 14.2100 -21.4900
32 O1a O 19.0400 -21.4200
33 O7a O 13.0200 -19.3200
34 C1y C 25.0600 -17.9200
35 C1y C 25.0600 -19.3200
36 C1y C 26.2500 -20.0200
37 C1y C 27.5100 -19.3200
38 C1y C 27.5100 -17.9200
39 O2x O 26.2500 -17.2200
40 C1b C 28.7000 -17.2200
41 O1a O 26.2500 -21.4200
42 O1a O 23.8700 -20.0200
43 O1a O 28.7000 -20.0200
44 O1a O 29.8900 -17.9200
45 C7a C 11.7600 -18.6200
46 C2b C 10.5700 -19.3200
47 C2b C 9.3800 -18.6200
48 C8y C 8.1200 -19.3200
49 O6a O 11.7600 -17.2200
50 C8x C 6.9300 -18.6200
51 C8y C 5.7400 -19.3200
52 C8y C 5.7400 -20.7200
53 C8x C 6.9300 -21.4200
54 C8x C 8.1200 -20.7200
55 O1a O 4.4800 -21.4200
56 O1a O 4.4800 -18.6200
57 C1y C 23.8476 -10.2200
58 O2x O 23.8476 -8.8202
59 C1y C 22.6351 -8.1202
60 C1y C 21.4227 -8.8202
61 C1y C 21.4227 -10.2200
62 C1y C 22.6351 -10.9200
63 C1b C 22.6351 -6.7202
64 O1a O 20.2082 -10.9212
65 O1a O 20.2081 -8.1190
66 O1a O 22.6351 -12.3198
67 O1a O 23.8287 -6.0309
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 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
62 57 17 1 #Up
63 57 58 1
64 58 59 1
65 59 60 1
66 60 61 1
67 61 62 1
68 57 62 1
69 59 63 1 #Up
70 61 64 1 #Up
71 60 65 1 #Down
72 62 66 1 #Down
73 63 67 1
|
|---|
