Entry |
|
Name |
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
|
Formula |
C37H30O17
|
Exact mass |
746.1483
|
Mol weight |
746.6239
|
Structure |
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1203 Proanthocyanidins
C10223 Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
Phytochemical compounds [BR:br08003]
Flavonoids
Complex flavonoids
Proanthocyanidins
C10223 Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester
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Other DBs |
|
LinkDB |
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KCF data |
ATOM 54
1 C1y C 26.4631 -15.1594
2 C8y C 25.2531 -14.4580
3 C1y C 27.6905 -14.4697
4 C8y C 25.2589 -13.0492
5 C8y C 24.0432 -15.1594
6 C1y C 27.6964 -13.0609
7 O2x O 26.4805 -12.3596
8 C8x C 24.0489 -12.3537
9 C8x C 22.8273 -14.4580
10 O1a O 22.8285 -15.8429
11 C8y C 28.9121 -12.3654
12 C8y C 22.8273 -13.0492
13 C8x C 30.1221 -13.0726
14 C8x C 28.9121 -10.9625
15 O1a O 21.6058 -12.3537
16 C8y C 31.3437 -12.3829
17 C8y C 30.1338 -10.2671
18 C8y C 31.3495 -10.9742
19 O1a O 32.5711 -10.2728
20 O1a O 32.5499 -13.0904
21 O1a O 30.0702 -8.8686
22 O1a O 28.8958 -15.1784
23 C8y C 26.4631 -16.5563
24 C8y C 27.6671 -17.2520
25 C8y C 25.2531 -17.2460
26 C8y C 27.6554 -18.6430
27 O2x O 28.8713 -16.5739
28 C8x C 25.2472 -18.6372
29 C1x C 28.8479 -19.3561
30 C8y C 26.4514 -19.3444
31 C1y C 30.0695 -17.2752
32 C1y C 30.1278 -18.6664
33 O1a O 26.4514 -20.7472
34 C8y C 31.2969 -16.5856
35 C8x C 32.5069 -17.2928
36 C8x C 31.3027 -15.1769
37 C8y C 33.7285 -16.6031
38 C8x C 32.5303 -14.4814
39 C8y C 33.7402 -15.2003
40 O1a O 34.9619 -14.4988
41 O1a O 24.0455 -16.6109
42 O1a O 34.9332 -17.3132
43 O7a O 31.1940 -19.3740
44 C7a C 31.2542 -20.7723
45 O6a O 30.0383 -21.4632
46 C8y C 32.4604 -21.4800
47 C8x C 32.4504 -22.8771
48 C8y C 33.6566 -23.5846
49 C8y C 34.8725 -22.8939
50 C8y C 34.8822 -21.4954
51 C8x C 33.6760 -20.7879
52 O1a O 36.0788 -23.6016
53 O1a O 36.0981 -20.8047
54 O1a O 33.6468 -24.9831
BOND 60
1 4 7 1
2 4 8 1
3 5 9 2
4 5 10 1
5 6 11 1 #Down
6 8 12 2
7 11 13 2
8 11 14 1
9 12 15 1
10 13 16 1
11 14 17 2
12 16 18 2
13 18 19 1
14 23 24 1
15 23 25 2
16 24 26 2
17 24 27 1
18 25 28 1
19 26 29 1
20 26 30 1
21 27 31 1
22 29 32 1
23 30 33 1
24 31 34 1 #Down
25 34 35 2
26 34 36 1
27 35 37 1
28 36 38 2
29 37 39 2
30 39 40 1
31 28 30 2
32 31 32 1
33 38 39 1
34 25 41 1
35 37 42 1
36 16 20 1
37 32 43 1 #Down
38 6 7 1
39 43 44 1
40 17 21 1
41 44 45 2
42 9 12 1
43 44 46 1
44 3 22 1 #Down
45 17 18 1
46 1 23 1 #Up
47 1 2 1
48 1 3 1
49 46 47 2
50 47 48 1
51 48 49 2
52 49 50 1
53 50 51 2
54 51 46 1
55 2 4 2
56 49 52 1
57 2 5 1
58 50 53 1
59 3 6 1
60 48 54 1
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