| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C20H22O9
|
|---|
| Exact mass |
406.1264
|
|---|
| Mol weight |
406.38
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
C10245 Astringin
Phytochemical compounds [BR:br08003]
Shikimate / acetate-malonate pathway derived compounds
Stilbenoids
Stilbenes
C10245 Astringin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 32.6924 -17.0506
2 C8y C 32.6807 -18.4495
3 C8x C 31.4828 -16.3454
4 O1a O 33.8831 -16.3397
5 C8x C 31.4652 -19.1371
6 O1a O 33.8773 -19.1430
7 C8y C 30.2674 -17.0389
8 C8x C 30.2686 -18.4378
9 C2b C 29.0634 -16.3397
10 C2b C 27.8608 -17.0449
11 C8y C 26.6632 -16.3571
12 C8x C 25.4606 -17.0449
13 C8x C 26.6632 -14.9642
14 C8y C 24.3209 -16.3514
15 C8y C 25.4663 -14.2649
16 C8x C 24.2568 -14.9584
17 O1a O 25.4489 -12.8592
18 O2a O 22.9705 -17.0263
19 C1y C 21.7065 -17.9450
20 O2x O 20.5047 -17.2460
21 C1y C 21.7007 -19.3394
22 C1y C 19.2982 -17.9402
23 C1y C 20.5001 -20.0207
24 O1a O 22.9070 -20.0322
25 C1y C 19.2925 -19.3335
26 C1b C 18.0918 -17.2344
27 O1a O 20.4942 -21.4196
28 O1a O 18.0801 -20.0207
29 O1a O 16.8795 -17.9345
BOND 31
1 11 13 2
2 12 14 2
3 13 15 1
4 14 16 1
5 15 17 1
6 7 8 2
7 15 16 2
8 14 18 1
9 1 2 1
10 1 3 2
11 1 4 1
12 2 5 2
13 2 6 1
14 3 7 1
15 5 8 1
16 7 9 1
17 9 10 2
18 10 11 1
19 11 12 1
20 19 18 1 #Up
21 19 20 1
22 19 21 1
23 20 22 1
24 21 23 1
25 21 24 1 #Down
26 22 25 1
27 22 26 1 #Up
28 23 27 1 #Up
29 25 28 1 #Down
30 26 29 1
31 23 25 1
|
|---|
