| Entry |
|
|---|
| Name |
Pentagalloylglucose;
1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose;
Pentagalloyl-beta-D-glucose
|
|---|
| Formula |
C41H32O26
|
|---|
| Exact mass |
940.1182
|
|---|
| Mol weight |
940.67
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01061 | Biosynthesis of phenylpropanoids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Others
Tannins and galloyl derivatives
Ellagitannins
C04576 Pentagalloylglucose
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C04576
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 67
1 C1y C 27.0563 -16.4091
2 C1y C 28.2611 -15.7116
3 C1y C 25.8641 -15.7116
4 O7a O 27.0500 -17.7915
5 C1y C 28.2611 -14.3356
6 O7a O 29.4595 -16.4028
7 C1y C 25.8641 -14.3356
8 O7a O 23.9937 -16.7706
9 C7a C 26.0353 -18.5271
10 O2x O 27.0563 -13.6508
11 O7a O 29.4659 -13.6508
12 C7a C 29.4595 -17.7851
13 C1b C 24.6847 -13.6508
14 C7a C 23.9937 -18.3114
15 C8y C 26.0737 -19.8395
16 O6a O 25.0095 -17.6640
17 C7a C 30.6579 -12.9597
18 C8y C 30.6516 -18.4763
19 O6a O 28.2674 -18.4763
20 O7a O 23.6195 -14.5386
21 C8y C 22.8015 -19.0026
22 O6a O 25.1477 -19.0280
23 C8x C 24.8816 -20.5561
24 C8x C 27.2848 -20.5053
25 C8y C 31.8500 -13.6572
26 O6a O 30.6643 -11.5837
27 C8x C 30.6516 -19.8713
28 C8x C 31.8437 -17.7851
29 C7a C 22.4275 -13.8474
30 C8x C 22.8015 -20.3975
31 C8x C 21.6031 -18.3114
32 C8y C 24.8243 -21.9448
33 C8y C 27.3166 -21.9003
34 C8x C 31.8500 -15.0522
35 C8x C 33.0611 -12.9660
36 C8y C 31.8437 -20.5750
37 C8y C 33.0548 -18.4763
38 C8y C 21.2354 -14.5386
39 O6a O 22.4275 -12.4651
40 C8y C 21.6031 -21.1015
41 C8y C 20.3921 -19.0026
42 C8y C 26.1180 -22.6169
43 O1a O 23.7086 -22.6549
44 O1a O 28.5212 -22.5661
45 C8y C 33.0611 -15.7561
46 C8y C 34.2532 -13.6572
47 C8y C 33.0548 -19.8713
48 O1a O 31.8437 -21.9510
49 O1a O 34.2470 -17.7788
50 C8x C 21.2354 -15.9273
51 C8x C 20.0432 -13.8474
52 C8y C 20.3921 -20.3975
53 O1a O 21.6094 -22.4837
54 O1a O 19.1999 -18.3114
55 O1a O 26.0927 -24.2211
56 C8y C 34.2278 -15.0079
57 O1a O 33.0611 -17.1319
58 O1a O 35.4453 -12.9660
59 O1a O 34.2532 -20.5561
60 C8y C 20.0432 -16.6375
61 C8y C 18.8322 -14.5386
62 O1a O 19.1999 -21.0823
63 O1a O 35.4516 -15.7307
64 C8y C 18.8322 -15.9273
65 O1a O 20.0432 -18.0133
66 O1a O 17.6400 -13.8411
67 O1a O 17.6338 -16.6183
BOND 72
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 2
16 11 17 1
17 12 18 1
18 12 19 2
19 13 20 1
20 14 21 1
21 14 22 2
22 15 23 1
23 15 24 2
24 17 25 1
25 17 26 2
26 18 27 1
27 18 28 2
28 20 29 1
29 21 30 1
30 21 31 2
31 23 32 2
32 24 33 1
33 25 34 2
34 25 35 1
35 27 36 2
36 28 37 1
37 29 38 1
38 29 39 2
39 30 40 2
40 31 41 1
41 32 42 1
42 32 43 1
43 33 44 1
44 34 45 1
45 35 46 2
46 36 47 1
47 36 48 1
48 37 49 1
49 38 50 1
50 38 51 2
51 40 52 1
52 40 53 1
53 41 54 1
54 42 55 1
55 45 56 2
56 45 57 1
57 46 58 1
58 47 59 1
59 50 60 2
60 51 61 1
61 52 62 1
62 56 63 1
63 60 64 1
64 60 65 1
65 61 66 1
66 64 67 1
67 7 10 1
68 33 42 2
69 37 47 2
70 41 52 2
71 46 56 1
72 61 64 2
|
|---|
