Entry |
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Name |
Cyanidin 3,5,3'-tri-O-glucoside
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Formula |
C33H41O21
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Exact mass |
773.214
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Mol weight |
773.666
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Structure |
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08629 Cyanidin 3,5,3'-tri-O-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C08629 Cyanidin 3,5,3'-tri-O-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C08629 Cyanidin 3,5,3'-tri-O-glucoside
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Other DBs |
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LinkDB |
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KCF data |
ATOM 54
1 C8y C 28.1172 -20.8598
2 C8y C 28.1112 -22.2489
3 C8y C 29.3194 -20.1651
4 O2x O 26.9148 -20.1534 #+
5 C8x C 26.9031 -22.9316
6 O2a O 29.3077 -22.9433
7 C8x C 29.3253 -18.7760
8 C8x C 30.5159 -20.8714
9 C8y C 25.7066 -20.8481
10 C8y C 25.7066 -22.2372
11 C1y C 30.7376 -23.6787
12 C8y C 30.5276 -18.0933
13 C8x C 31.7240 -20.1768
14 C8x C 24.5044 -20.1477
15 C8y C 24.5044 -22.9259
16 O2x O 30.7203 -25.0619
17 C1y C 31.9167 -22.9376
18 O2a O 30.5276 -16.6982
19 C8y C 31.7298 -18.7877
20 C8y C 23.3020 -20.8481
21 O2a O 24.5101 -24.3091
22 C8x C 23.3020 -22.2372
23 C1y C 32.0158 -25.7098
24 C1y C 33.1422 -23.5912
25 O1a O 31.8642 -21.5485
26 C1y C 29.1385 -15.7937
27 O1a O 32.9322 -18.1049
28 O1a O 22.0997 -20.1477
29 C1y C 23.1794 -25.1961
30 C1y C 33.1190 -24.9802
31 C1b C 32.0683 -27.0989
32 O1a O 34.3154 -22.8499
33 O2x O 29.1151 -14.4163
34 C1y C 27.9479 -16.5115
35 O2x O 21.9830 -24.5074
36 C1y C 23.1794 -26.5852
37 O1a O 34.4146 -25.6281
38 O1a O 30.8894 -27.8401
39 C1y C 27.9012 -13.7450
40 C1y C 26.7398 -15.8403
41 O1a O 27.9770 -17.9006
42 C1y C 20.7748 -25.1961
43 C1y C 21.9830 -27.2856
44 O1a O 24.3818 -27.2856
45 C1y C 26.7105 -14.4571
46 C1b C 27.8778 -12.3559
47 O1a O 25.5490 -16.5583
48 C1y C 20.7748 -26.5852
49 C1b C 19.5726 -24.5074
50 O1a O 21.9830 -28.6747
51 O1a O 25.4966 -13.7860
52 O1a O 29.0626 -11.6322
53 O1a O 19.5726 -27.2856
54 O1a O 18.3702 -25.1961
BOND 59
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 14 20 2
20 15 21 1
21 15 22 2
22 16 23 1
23 17 24 1
24 17 25 1 #Down
25 26 18 1 #Up
26 19 27 1
27 20 28 1
28 29 21 1 #Up
29 23 30 1
30 23 31 1 #Up
31 24 32 1 #Up
32 26 33 1
33 26 34 1
34 29 35 1
35 29 36 1
36 30 37 1 #Down
37 31 38 1
38 33 39 1
39 34 40 1
40 34 41 1 #Down
41 35 42 1
42 36 43 1
43 36 44 1 #Down
44 39 45 1
45 39 46 1 #Up
46 40 47 1 #Up
47 42 48 1
48 42 49 1 #Up
49 43 50 1 #Up
50 45 51 1 #Down
51 46 52 1
52 48 53 1 #Down
53 49 54 1
54 9 10 2
55 13 19 2
56 20 22 1
57 24 30 1
58 40 45 1
59 43 48 1
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