Entry |
|
Name |
Cinnamtannin A4;
[Epicatechin-(4beta->8)]5-epicatechin
|
Formula |
C90H74O36
|
Exact mass |
1730.3960
|
Mol weight |
1731.52
|
Structure |

|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1203 Proanthocyanidins
C10222 [Epicatechin-(4beta->8)]5-epicatechin
Phytochemical compounds [BR:br08003]
Flavonoids
Complex flavonoids
Proanthocyanidins
C10222 Cinnamtannin A4
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 126
1 C8y C 31.2660 -28.9708
2 C8y C 32.4866 -29.6309
3 C8y C 30.0714 -29.6814
4 C8y C 32.4483 -31.0342
5 O2x O 33.6954 -28.9205
6 C8x C 30.1089 -31.0847
7 O1a O 28.8309 -29.0912
8 C1x C 33.7386 -31.7143
9 C8y C 31.3294 -31.7648
10 C1y C 34.9157 -29.5806
11 C1y C 34.9346 -30.9838
12 O1a O 31.3669 -33.1682
13 O1a O 36.1680 -31.6768
14 C8y C 36.1176 -28.8771
15 C8x C 37.3322 -29.5429
16 C8x C 36.0857 -27.4796
17 C8y C 38.4768 -28.8325
18 C8x C 37.2888 -26.7491
19 C8y C 38.5151 -27.4362
20 O1a O 39.7743 -29.5055
21 O1a O 39.7170 -26.6988
22 C8y C 28.7685 -24.8221
23 C8y C 29.9960 -25.4891
24 C8y C 27.5668 -25.5454
25 C8y C 30.0277 -26.8854
26 O2x O 31.1906 -24.7715
27 C8x C 27.5985 -26.9359
28 O1a O 26.2694 -25.0824
29 C1y C 31.2411 -27.5655
30 C8y C 28.8318 -27.6159
31 C1y C 32.4182 -25.4445
32 C1y C 32.4499 -26.8351
33 O1a O 27.6114 -28.3019
34 O1a O 33.6705 -27.5281
35 C8y C 33.6213 -24.7197
36 C8x C 34.8405 -25.3942
37 C8x C 33.5884 -23.3306
38 C8y C 36.0362 -24.6837
39 C8x C 34.7971 -22.6004
40 C8y C 36.0176 -23.2803
41 O1a O 37.2697 -25.3696
42 O1a O 37.2193 -22.5627
43 C8y C 26.2605 -20.6602
44 C8y C 27.4811 -21.3332
45 C8y C 25.0648 -21.3895
46 C8y C 27.5128 -22.7367
47 O2x O 28.6956 -20.6099
48 C8x C 25.0263 -22.7929
49 O1a O 23.7683 -20.7936
50 C1y C 28.7462 -23.4168
51 C8y C 26.3297 -23.4600
52 C1y C 29.9233 -21.2958
53 C1y C 29.9548 -22.6992
54 O1a O 25.1022 -24.1460
55 O1a O 31.1682 -23.3662
56 C8y C 31.0523 -20.5758
57 C8x C 32.3325 -21.2583
58 C8x C 31.0933 -19.1690
59 C8y C 33.5342 -20.5350
60 C8x C 32.2820 -18.4514
61 C8y C 33.5096 -19.1315
62 O1a O 34.7618 -21.2008
63 O1a O 34.7113 -18.4011
64 C1y C 26.2393 -19.2538
65 C8y C 25.0188 -18.5796
66 C1y C 27.4482 -18.5292
67 C8y C 24.9932 -17.1833
68 C8y C 23.8288 -19.2972
69 C1y C 27.4165 -17.1258
70 O1a O 28.6745 -19.2092
71 C8y C 23.7725 -16.5032
72 O2x O 26.1888 -16.4528
73 C8x C 22.6025 -18.6301
74 O1a O 22.6085 -19.9829
75 C8y C 22.6410 -17.2267
76 O1a O 21.1905 -16.8337
77 C8y C 28.6312 -16.4096
78 C8x C 29.8445 -17.0883
79 C8x C 28.5994 -15.0119
80 C8y C 31.0404 -16.3720
81 C8x C 29.7882 -14.2886
82 C8y C 31.0216 -14.9687
83 O1a O 32.2608 -17.0507
84 O1a O 32.2175 -14.2440
85 C1y C 23.7296 -15.0982
86 C8y C 22.4893 -14.4252
87 C1y C 24.8485 -14.3562
88 C8y C 22.4647 -13.0277
89 C8y C 21.3133 -15.1616
90 C1y C 24.8810 -12.9586
91 O1a O 26.1590 -15.0291
92 C8y C 21.2372 -12.3676
93 O2x O 23.6476 -12.2986
94 C8x C 20.0859 -14.4815
95 O1a O 20.1047 -15.8661
96 C8y C 20.1184 -13.0910
97 O1a O 18.6879 -12.7039
98 C8y C 26.0088 -12.2252
99 C8x C 27.3104 -12.8894
100 C8x C 26.0266 -10.8259
101 C8y C 28.4992 -12.1601
102 C8x C 27.2281 -10.0897
103 C8y C 28.4615 -10.7696
104 O1a O 29.7326 -12.8272
105 O1a O 29.6504 -10.0205
106 C1y C 21.2052 -10.9645
107 C8y C 19.9648 -10.2844
108 C1y C 22.3240 -10.2341
109 C8y C 19.9460 -8.8941
110 C8y C 18.7830 -11.0149
111 C1y C 22.3623 -8.8378
112 O1a O 23.6274 -10.9142
113 O2x O 21.1291 -8.1807
114 C8x C 18.7257 -8.2221
115 C8x C 17.5426 -10.3350
116 O1a O 17.5684 -11.7325
117 C8y C 17.5809 -8.9317
118 O1a O 16.2905 -8.2918
119 C8y C 23.4883 -8.1170
120 C8x C 24.7788 -8.7745
121 C8x C 23.5137 -6.7303
122 C8y C 25.9747 -8.0600
123 C8x C 24.7225 -5.9762
124 C8y C 25.9429 -6.6664
125 O1a O 27.2208 -8.7183
126 O1a O 27.1519 -5.9124
BOND 143
1 56 58 1
2 57 59 1
3 58 60 2
4 59 61 2
5 59 62 1
6 61 63 1
7 60 61 1
8 24 28 1
9 25 29 1
10 25 30 1
11 26 31 1
12 29 32 1
13 30 33 1
14 32 34 1 #Down
15 27 30 2
16 31 32 1
17 3 6 1
18 31 35 1 #Down
19 3 7 1
20 4 8 1
21 64 65 1
22 64 66 1
23 65 67 2
24 65 68 1
25 66 69 1
26 66 70 1 #Down
27 67 71 1
28 67 72 1
29 68 73 2
30 68 74 1
31 71 75 2
32 75 76 1
33 69 72 1
34 73 75 1
35 14 15 2
36 69 77 1 #Down
37 14 16 1
38 15 17 1
39 16 18 2
40 17 19 2
41 35 36 2
42 35 37 1
43 36 38 1
44 77 78 2
45 77 79 1
46 78 80 1
47 79 81 2
48 80 82 2
49 80 83 1
50 82 84 1
51 81 82 1
52 37 39 2
53 38 40 2
54 38 41 1
55 40 42 1
56 39 40 1
57 17 20 1
58 19 21 1
59 18 19 1
60 4 9 1
61 5 10 1
62 8 11 1
63 9 12 1
64 11 13 1 #Down
65 85 86 1
66 85 87 1
67 86 88 2
68 86 89 1
69 87 90 1
70 87 91 1 #Down
71 88 92 1
72 88 93 1
73 89 94 2
74 89 95 1
75 92 96 2
76 96 97 1
77 90 93 1
78 94 96 1
79 6 9 2
80 90 98 1 #Down
81 10 11 1
82 10 14 1 #Down
83 1 2 1
84 43 44 1
85 43 45 2
86 44 46 2
87 98 99 2
88 98 100 1
89 99 101 1
90 100 102 2
91 101 103 2
92 101 104 1
93 103 105 1
94 102 103 1
95 44 47 1
96 45 48 1
97 45 49 1
98 46 50 1
99 46 51 1
100 47 52 1
101 50 53 1
102 51 54 1
103 53 55 1 #Down
104 48 51 2
105 52 53 1
106 1 3 2
107 52 56 1 #Down
108 106 107 1
109 106 108 1
110 107 109 2
111 107 110 1
112 108 111 1
113 108 112 1 #Down
114 109 113 1
115 109 114 1
116 110 115 2
117 110 116 1
118 114 117 2
119 117 118 1
120 111 113 1
121 115 117 1
122 2 4 2
123 111 119 1 #Down
124 2 5 1
125 22 23 1
126 22 24 2
127 23 25 2
128 23 26 1
129 24 27 1
130 56 57 2
131 119 120 2
132 119 121 1
133 120 122 1
134 121 123 2
135 122 124 2
136 122 125 1
137 124 126 1
138 123 124 1
139 106 92 1 #Up
140 85 71 1 #Up
141 64 43 1 #Up
142 50 22 1 #Up
143 29 1 1 #Up
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