| Entry |
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| Name |
Cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]
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| Formula |
C41H45O22
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| Exact mass |
889.2402
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| Mol weight |
889.78
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C20460 Cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 63
1 C8y C 17.4120 -11.3892
2 C8y C 17.4060 -12.7880
3 C8y C 18.6232 -10.7169
4 O2x O 16.2190 -10.7048 #+
5 O2a O 18.4960 -13.5449
6 C8x C 16.2069 -13.4904
7 C8x C 18.6232 -9.3241
8 C8x C 19.8283 -11.4073
9 C8y C 15.0138 -11.3830
10 C1y C 18.5020 -14.8833
11 C8y C 15.0079 -12.7759
12 C8y C 19.8343 -8.6216
13 C8x C 21.0334 -10.7229
14 C8x C 13.7967 -10.6988
15 C1y C 19.6950 -15.5737
16 O2x O 17.2969 -15.5737
17 C8y C 13.7967 -13.4844
18 C8y C 20.9694 -9.3301
19 O1a O 19.8404 -7.2651
20 C8y C 12.5854 -11.3830
21 O2a O 20.9001 -14.8833
22 C1y C 19.6950 -16.9543
23 C1y C 17.2969 -16.9543
24 C8x C 12.5854 -12.7759
25 O1a O 13.7967 -14.8773
26 O1a O 22.2444 -8.6338
27 O1a O 11.3623 -10.6988
28 C1y C 22.3413 -14.0113
29 C1y C 18.5020 -17.6568
30 O1a O 20.8941 -17.6568
31 C1b C 16.0918 -17.6568
32 C1y C 22.3413 -12.6245
33 O2x O 23.5526 -14.6955
34 O1a O 18.5020 -19.0375
35 O2a O 16.0978 -19.1043
36 C1y C 23.5526 -11.9220
37 O1a O 21.1424 -11.9220
38 C1x C 24.7515 -14.0113
39 C1y C 16.1282 -20.8968
40 C1y C 24.7515 -12.6245
41 O1a O 23.5526 -10.5292
42 O2x O 14.9352 -21.5931
43 C1y C 17.3272 -21.5931
44 O1a O 25.9566 -11.9220
45 C1y C 14.9352 -22.9859
46 C1y C 17.3272 -22.9859
47 O1a O 18.5202 -20.9027
48 C1y C 16.1282 -23.6763
49 C1b C 13.7423 -23.6763
50 O1a O 18.5202 -23.6763
51 O1a O 16.1282 -25.0510
52 O7a O 12.5250 -22.9859
53 C7a C 12.5250 -21.5859
54 O6a O 13.7524 -20.8776
55 C2b C 11.3053 -20.8818
56 C2b C 10.1283 -21.5613
57 C8y C 8.9317 -20.8702
58 C8x C 8.9317 -19.4603
59 C8x C 7.7192 -18.7603
60 C8y C 6.5068 -19.4603
61 C8x C 6.5068 -20.8703
62 C8x C 7.7193 -21.5702
63 O1a O 5.2966 -18.7617
BOND 69
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 10 5 1 #Up
10 6 11 1
11 7 12 2
12 8 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 11 17 1
17 12 18 1
18 12 19 1
19 14 20 2
20 15 21 1 #Down
21 15 22 1
22 16 23 1
23 17 24 2
24 17 25 1
25 18 26 1
26 20 27 1
27 28 21 1 #Up
28 22 29 1
29 22 30 1 #Up
30 23 31 1 #Up
31 28 32 1
32 28 33 1
33 29 34 1 #Up
34 31 35 1
35 32 36 1
36 32 37 1 #Down
37 33 38 1
38 39 35 1 #Up
39 36 40 1
40 36 41 1 #Up
41 39 42 1
42 39 43 1
43 40 44 1 #Down
44 42 45 1
45 43 46 1
46 43 47 1 #Down
47 45 48 1
48 45 49 1 #Up
49 46 50 1 #Up
50 48 51 1 #Down
51 49 52 1
52 9 11 2
53 13 18 2
54 20 24 1
55 23 29 1
56 38 40 1
57 46 48 1
58 52 53 1
59 53 54 2
60 53 55 1
61 55 56 2
62 56 57 1
63 57 58 2
64 58 59 1
65 59 60 2
66 60 61 1
67 61 62 2
68 57 62 1
69 60 63 1
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