Entry |
|
Name |
Procyanidin B4;
Catechin-(4alpha->8)-epicatechin
|
Formula |
C30H26O12
|
Exact mass |
578.1424
|
Mol weight |
578.5202
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1203 Proanthocyanidins
C10238 Procyanidin B4
Phytochemical compounds [BR:br08003]
Flavonoids
Complex flavonoids
Proanthocyanidins
C10238 Procyanidin B4
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Other DBs |
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LinkDB |
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KCF data |
ATOM 42
1 C1y C 27.0451 -16.5566
2 C8y C 25.8446 -15.8456
3 C1y C 28.2632 -15.8689
4 C8y C 25.8561 -14.4527
5 C8y C 24.6265 -16.5450
6 C1y C 28.2749 -14.4761
7 O1a O 29.4637 -16.5859
8 O2x O 27.0742 -13.7709
9 C8x C 24.6498 -13.7417
10 C8x C 23.4841 -15.8339
11 C8y C 23.4258 -14.4294
12 O1a O 22.2193 -13.7243
13 C8y C 29.4879 -13.7885
14 C8x C 30.6877 -14.4994
15 C8x C 29.4930 -12.3895
16 C8y C 31.9116 -13.8116
17 C8x C 30.7168 -11.6961
18 C8y C 31.9232 -12.4129
19 O1a O 33.1180 -14.5227
20 O1a O 33.1471 -11.7194
21 C8y C 27.0508 -17.9671
22 C8y C 28.2573 -18.6548
23 C8y C 25.8270 -18.6548
24 C8y C 28.2515 -20.0593
25 O2x O 29.4696 -17.9671
26 C8x C 25.8270 -20.0593
27 C1x C 29.4580 -20.7647
28 C8y C 27.0451 -20.7647
29 C1y C 30.6818 -18.6665
30 C1y C 30.6761 -20.0710
31 O1a O 27.0508 -22.1634
32 O1a O 31.8825 -20.7763
33 C8y C 31.8942 -17.9788
34 C8x C 33.1064 -18.6781
35 C8x C 31.8999 -16.5742
36 C8y C 34.3245 -17.9904
37 C8x C 33.1180 -15.8806
38 C8y C 34.3302 -16.5859
39 O1a O 35.5367 -18.6898
40 O1a O 35.5483 -15.8865
41 O1a O 24.6234 -17.9505
42 O1a O 23.4112 -17.2298
BOND 47
1 18 20 1
2 17 18 1
3 4 9 1
4 1 21 1 #Down
5 5 10 2
6 9 11 2
7 11 12 1
8 6 8 1
9 10 11 1
10 6 13 1 #Down
11 1 2 1
12 1 3 1
13 2 4 2
14 2 5 1
15 21 22 1
16 21 23 2
17 22 24 2
18 22 25 1
19 23 26 1
20 24 27 1
21 24 28 1
22 25 29 1
23 27 30 1
24 28 31 1
25 30 32 1 #Down
26 26 28 2
27 29 30 1
28 3 6 1
29 29 33 1 #Down
30 3 7 1 #Up
31 4 8 1
32 13 14 2
33 13 15 1
34 14 16 1
35 15 17 2
36 16 18 2
37 33 34 2
38 33 35 1
39 34 36 1
40 35 37 2
41 36 38 2
42 36 39 1
43 38 40 1
44 37 38 1
45 23 41 1
46 16 19 1
47 5 42 1
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