Entry |
|
Name |
Bergenin (JAN) |
Formula |
C14H16O9
|
Exact mass |
328.0794
|
Mol weight |
328.2714
|
Structure |
|
Simcomp |
|
Source |
Mallotus japonicus [TAX: 29747]
|
Remark |
|
Efficacy |
Antibiotic, Anti-inflammatory |
Comment |
Bergenin: major constituent of Mallotus japonicus
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 23
1 C8y C 21.2067 -18.0177
2 C1y C 22.4184 -17.3247
3 C8y C 21.2010 -19.4157
4 C8y C 19.9952 -17.3187
5 C1y C 23.6241 -18.0294
6 O2x O 22.4300 -15.9267
7 C7x C 22.4067 -20.1264
8 C8x C 19.9952 -20.1206
9 C8y C 18.7778 -18.0177
10 O1a O 19.9952 -15.9208
11 O7x O 23.6241 -19.4274
12 C1y C 24.8415 -17.3480
13 C1y C 23.6474 -15.2394
14 O6a O 22.4008 -21.5301
15 C8y C 18.7778 -19.4157
16 O2a O 17.5664 -17.3187
17 C1y C 24.8532 -15.9500
18 O1a O 26.0530 -18.0527
19 C1b C 23.6591 -13.8356
20 O1a O 17.5664 -20.1206
21 C1a C 16.3547 -18.0177
22 O1a O 26.0763 -15.2568
23 O1a O 24.8822 -13.1483
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 2
14 8 15 2
15 9 16 1
16 12 17 1
17 12 18 1 #Down
18 13 19 1 #Down
19 15 20 1
20 16 21 1
21 17 22 1 #Up
22 19 23 1
23 7 11 1
24 9 15 1
25 13 17 1
|