| Entry |
|
|---|
| Name |
Epigallocatechin gallate;
(-)-Epigallocatechin-3-O-gallate
|
|---|
| Formula |
C22H18O11
|
|---|
| Exact mass |
458.0849
|
|---|
| Mol weight |
458.3717
|
|---|
| Structure |
|
|---|
| Pathway |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1203 Proanthocyanidins
C09731 Epigallocatechin 3-gallate
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavan 3-ols
C09731 Epigallocatechin 3-gallate
Dietary phytochemicals [br08012.html]
Flavonoids
C09731
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 C1y C 28.8597 -15.1862
2 C1y C 28.8539 -16.5841
3 O2x O 27.6481 -14.4756
4 C1x C 27.6365 -17.2773
5 O7a O 29.9954 -17.2831
6 C8y C 26.4307 -15.1746
7 C8y C 26.4950 -16.5724
8 C7a C 30.0597 -18.6870
9 C8x C 25.2192 -14.4697
10 C8y C 25.2192 -17.2714
11 C8y C 31.2655 -19.3976
12 O6a O 28.8423 -19.3860
13 C8y C 24.0134 -15.1746
14 C8x C 24.0134 -16.5724
15 O1a O 25.2249 -18.6694
16 C8x C 31.2595 -20.7897
17 C8x C 32.4829 -18.6870
18 O1a O 22.7960 -14.4697
19 C8y C 32.4712 -21.4887
20 C8y C 33.6886 -19.3976
21 C8y C 33.6827 -20.8014
22 O1a O 32.4653 -22.8925
23 O1a O 34.9061 -18.6986
24 O1a O 34.8944 -21.5004
25 C8y C 30.0771 -14.4872
26 C8x C 31.2829 -15.1979
27 C8x C 30.0771 -13.0892
28 C8y C 32.5003 -14.4989
29 C8y C 31.2945 -12.3960
30 C8y C 32.5062 -13.0950
31 O1a O 33.7003 -15.2095
32 O1a O 31.3004 -10.9922
33 O1a O 33.7120 -12.4076
BOND 36
1 7 10 1
2 8 11 1
3 8 12 2
4 9 13 2
5 10 14 2
6 10 15 1
7 11 16 2
8 11 17 1
9 13 18 1
10 16 19 1
11 17 20 2
12 19 21 2
13 19 22 1
14 20 23 1
15 21 24 1
16 6 7 2
17 13 14 1
18 20 21 1
19 1 25 1 #Down
20 1 2 1
21 1 3 1
22 2 4 1
23 2 5 1 #Down
24 3 6 1
25 4 7 1
26 5 8 1
27 6 9 1
28 25 26 2
29 25 27 1
30 26 28 1
31 27 29 2
32 28 30 2
33 28 31 1
34 29 32 1
35 30 33 1
36 29 30 1
|
|---|
