| Entry |
|
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| Name |
Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
|
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| Formula |
C32H39O20
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| Exact mass |
743.2035
|
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| Mol weight |
743.6401
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| Structure |
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| Reaction |
R10294
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
|
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| Enzyme |
2.4.1.295
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20493 Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated cyanidin
C20493 Cyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside
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| Other DBs |
|
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| KCF data |
ATOM 52
1 C1y C 11.9151 -18.1504
2 C1y C 11.9151 -19.5395
3 O2x O 13.1183 -17.4471
4 C1b C 10.7120 -17.4471
5 C1y C 13.1183 -20.2370
6 O1a O 10.7120 -20.2370
7 C1y C 14.3332 -18.1445
8 O1a O 9.6482 -18.3480
9 C1y C 14.3332 -19.5395
10 O1a O 13.1240 -21.6321
11 O1a O 15.5421 -20.2370
12 C1y C 24.0395 -14.0468
13 O2x O 24.0395 -15.3958
14 C1x C 25.2079 -16.0705
15 C1y C 26.3765 -15.3958
16 C1y C 26.3765 -14.0468
17 C1y C 25.2079 -13.3721
18 O1a O 27.5629 -16.0811
19 O1a O 27.5629 -13.3615
20 O1a O 25.2079 -12.0231
21 C8y C 18.6919 -13.4268
22 C8y C 18.6861 -14.7810
23 C8y C 19.8014 -12.7497
24 O2x O 17.4540 -12.7383 #+
25 O2a O 19.6152 -16.2056
26 C8x C 17.4427 -15.4523
27 C8x C 20.9749 -13.4324
28 C8x C 19.8014 -11.3899
29 C8y C 16.2747 -13.4155
30 C1y C 20.9522 -17.4901
31 C8y C 16.2691 -14.7698
32 C8x C 22.2241 -12.7552
33 C8y C 20.9805 -10.7129
34 C8x C 15.1011 -12.7329
35 O2x O 20.9522 -18.8385
36 C1y C 22.1261 -16.8128
37 C8y C 15.1011 -15.4468
38 C8y C 22.1597 -11.3954
39 C8y C 13.9275 -13.4155
40 C1y C 22.1261 -19.5155
41 C1y C 23.2883 -17.4901
42 O2a O 22.1934 -15.3299
43 C8x C 13.9275 -14.7698
44 O2a O 15.1011 -16.7952
45 O1a O 23.3277 -10.7240
46 O1a O 12.7594 -12.7441
47 C1y C 23.2883 -18.8385
48 C1b C 22.1261 -20.8642
49 O1a O 24.4618 -16.8128
50 O1a O 24.4618 -19.5101
51 O1a O 20.9579 -21.5414
52 O1a O 20.9829 -9.3101
BOND 57
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 9 11 1 #Down
11 7 9 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 12 17 1
18 15 18 1 #Down
19 16 19 1 #Up
20 17 20 1 #Down
21 21 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 22 26 2
26 23 27 2
27 23 28 1
28 24 29 1
29 30 25 1 #Up
30 26 31 1
31 27 32 1
32 28 33 2
33 29 34 1
34 30 35 1
35 30 36 1
36 31 37 1
37 32 38 2
38 34 39 2
39 35 40 1
40 36 41 1
41 36 42 1 #Down
42 37 43 2
43 37 44 1
44 38 45 1
45 39 46 1
46 40 47 1
47 40 48 1 #Up
48 41 49 1 #Up
49 47 50 1 #Down
50 48 51 1
51 29 31 2
52 33 38 1
53 39 43 1
54 41 47 1
55 12 42 1 #Up
56 7 44 1 #Up
57 33 52 1
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