COMPOUND: C06363
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Entry
C06363 Compound
Name
Anthocyanidin 3-glucoside-5-hydroxycinnamoylglucoside;
Anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-(6-O-4-hydroxycinnamoylglucoside)
Formula
C36H35O17R2
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R05163
Enzyme
2.3.1.153
Other DBs
PubChem:
8599
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KCF data
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ATOM 55
1 C8y C 17.2835 -14.4178
2 C8y C 17.2835 -15.8659
3 C8y C 16.0397 -13.5361
4 O2x O 18.5038 -13.7639 #+
5 C8x C 18.4979 -16.5609
6 O2a O 16.1039 -16.5549
7 C8x C 14.8544 -14.2485
8 C8x C 16.0106 -12.1700
9 C8y C 19.7125 -14.4705
10 C8y C 19.7125 -15.8602
11 C1y C 14.9887 -17.2148
12 C8y C 13.6574 -13.6005
13 C8y C 14.8077 -11.5042
14 C8x C 20.9212 -13.7815
15 C8y C 20.9212 -16.5666
16 O2x O 13.7859 -16.5199
17 C1y C 14.9887 -18.6045
18 C8y C 13.6283 -12.2165
19 R R 12.4779 -14.3069
20 R R 14.7843 -10.1263
21 C8y C 22.1121 -14.4705
22 O2a O 20.9269 -17.9389
23 C8x C 22.1121 -15.8602
24 C1y C 12.5830 -17.2148
25 C1y C 13.7859 -19.2993
26 O1a O 16.4368 -19.3751
27 O1a O 12.4196 -11.5451
28 O1a O 23.3035 -13.7815
29 C1y C 22.1238 -18.6277
30 C1y C 12.5830 -18.6045
31 C1b C 11.3743 -16.5199
32 O1a O 13.7800 -20.7064
33 O2x O 23.3150 -17.9272
34 C1y C 22.1238 -20.0057
35 O1a O 11.3743 -19.2993
36 O1a O 10.1716 -17.2089
37 C1y C 24.5179 -18.6162
38 C1y C 23.3209 -20.6947
39 O1a O 20.9327 -20.7007
40 C1y C 24.5237 -20.0000
41 C1b C 25.7149 -17.9213
42 O1a O 23.3560 -22.1720
43 O1a O 25.7266 -20.8349
44 O7a O 27.0579 -18.7388
45 C8y C 31.9068 -18.6087
46 C8x C 31.9068 -20.0126
47 C8x C 33.1226 -20.7146
48 C8y C 34.3384 -20.0126
49 C8x C 34.3384 -18.6087
50 C8x C 33.1226 -17.9068
51 O1a O 35.5729 -20.7256
52 C2b C 30.6911 -17.9068
53 C2b C 29.4922 -18.5991
54 C7a C 28.3016 -17.9117
55 O6a O 28.3014 -16.5031
BOND 60
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 13 20 1
20 14 21 2
21 15 22 1
22 15 23 2
23 16 24 1
24 17 25 1
25 17 26 1 #Down
26 18 27 1
27 21 28 1
28 29 22 1 #Down
29 24 30 1
30 24 31 1 #Up
31 25 32 1 #Up
32 29 33 1
33 29 34 1
34 30 35 1 #Down
35 31 36 1
36 33 37 1
37 34 38 1
38 34 39 1 #Up
39 37 40 1
40 37 41 1 #Down
41 38 42 1 #Down
42 40 43 1 #Up
43 41 44 1
44 9 10 2
45 13 18 2
46 21 23 1
47 25 30 1
48 38 40 1
49 45 46 2
50 46 47 1
51 47 48 2
52 48 49 1
53 49 50 2
54 45 50 1
55 48 51 1
56 45 52 1
57 52 53 2
58 53 54 1
59 54 55 2
60 44 54 1
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