Entry |
|
Name |
Cyanidin 3,7-di-O-beta-D-glucoside
|
Formula |
C27H31O16
|
Exact mass |
611.1612
|
Mol weight |
611.5254
|
Structure |
|
Reaction |
|
Pathway |
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Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20469 Cyanidin 3,7-di-O-beta-D-glucoside
Dietary phytochemicals [br08012.html]
Flavonoids
C20469
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Other DBs |
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LinkDB |
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KCF data |
ATOM 43
1 C1y C 8.8900 -14.2800
2 C1y C 8.8900 -15.6800
3 C1y C 10.1024 -16.3800
4 C1y C 11.3149 -15.6800
5 C1y C 11.3149 -14.2800
6 O2x O 10.1024 -13.5800
7 O1a O 12.5460 -16.3910
8 O1a O 10.1024 -17.7798
9 O1a O 7.6776 -16.3800
10 C1b C 7.6776 -13.5800
11 O1a O 6.4821 -14.2704
12 C8y C 18.6492 -14.0697
13 C8y C 18.6433 -15.4704
14 C8y C 19.8690 -13.3693
15 O2x O 17.4412 -13.3576 #+
16 O2a O 19.7463 -16.1064
17 C8x C 17.4295 -16.1648
18 C8x C 21.0828 -14.0755
19 C8x C 19.8690 -11.9629
20 C8y C 16.2214 -14.0580
21 C1y C 21.0594 -16.8768
22 C8y C 16.2155 -15.4587
23 C8y C 22.3026 -13.3750
24 C8x C 21.0887 -11.2626
25 C8x C 15.0074 -13.3519
26 O2x O 21.0594 -18.2715
27 C1y C 22.2735 -16.1764
28 C8y C 15.0074 -16.1590
29 C8y C 22.3084 -11.9686
30 O1a O 23.5807 -13.9355
31 C8y C 13.7935 -14.0580
32 C1y C 22.2735 -18.9718
33 C1y C 23.4756 -16.8768
34 O1a O 22.2735 -14.7817
35 C8x C 13.7935 -15.4587
36 O1a O 15.0074 -17.5537
37 O1a O 23.5164 -11.2742
38 O2a O 12.5855 -13.3635
39 C1y C 23.4756 -18.2715
40 C1b C 22.2735 -20.3668
41 O1a O 24.6894 -16.1764
42 O1a O 24.6894 -18.9661
43 O1a O 21.0653 -21.0672
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Down
8 3 8 1 #Up
9 2 9 1 #Down
10 1 10 1 #Up
11 10 11 1
12 12 13 1
13 12 14 1
14 12 15 2
15 13 16 1
16 13 17 2
17 14 18 2
18 14 19 1
19 15 20 1
20 21 16 1 #Up
21 17 22 1
22 18 23 1
23 19 24 2
24 20 25 1
25 21 26 1
26 21 27 1
27 22 28 1
28 23 29 2
29 23 30 1
30 25 31 2
31 26 32 1
32 27 33 1
33 27 34 1 #Down
34 28 35 2
35 28 36 1
36 29 37 1
37 31 38 1
38 32 39 1
39 32 40 1 #Up
40 33 41 1 #Up
41 39 42 1 #Down
42 40 43 1
43 20 22 2
44 24 29 1
45 31 35 1
46 33 39 1
47 5 38 1 #Up
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