| Entry |
|
|---|
| Name |
Neoastilbin;
(2S,3S)-Taxifolin 3-rhamnoside
|
|---|
| Formula |
C21H22O11
|
|---|
| Exact mass |
450.1162
|
|---|
| Mol weight |
450.3928
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09803 Neoastilbin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Dihyroflavonols
C09803 Neoastilbin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavanones
C09803 Neoastilbin
Dietary phytochemicals [br08012.html]
Flavonoids
C09803
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1y C 27.5705 -27.2288
2 C1y C 27.5648 -28.6278
3 O2x O 26.3698 -26.5293
4 C5x C 26.3581 -29.3157
5 O2a O 28.8122 -29.3332
6 C8y C 25.1572 -27.2230
7 C8y C 25.1515 -28.6161
8 O5x O 26.4222 -30.7147
9 C1y C 30.1179 -30.1726
10 C8x C 23.9565 -26.5235
11 C8y C 23.9565 -29.3157
12 C1y C 31.3305 -29.4790
13 O2x O 30.1122 -31.5659
14 C8y C 22.7441 -27.2230
15 C8x C 22.7441 -28.6161
16 O1a O 23.9565 -30.7090
17 C1y C 32.5372 -30.1842
18 O1a O 31.3362 -28.0857
19 C1y C 31.3188 -32.2652
20 O1a O 21.5374 -26.5235
21 C1y C 32.5255 -31.5716
22 O1a O 33.7496 -29.4906
23 C1a C 31.3129 -33.6642
24 O1a O 33.7322 -32.2769
25 C8y C 28.7811 -26.5364
26 C8x C 28.7889 -25.1478
27 C8x C 29.9839 -27.2464
28 C8y C 29.9955 -24.4542
29 C8x C 31.1964 -26.5526
30 C8y C 31.2022 -25.1595
31 O1a O 30.0014 -23.0609
32 O1a O 32.4146 -24.4659
BOND 35
1 11 16 1
2 12 17 1
3 12 18 1 #Down
4 13 19 1
5 14 20 1
6 17 21 1
7 17 22 1 #Down
8 19 23 1 #Down
9 21 24 1 #Up
10 6 7 2
11 14 15 1
12 19 21 1
13 1 2 1
14 1 3 1
15 2 4 1
16 2 5 1 #Down
17 3 6 1
18 4 7 1
19 4 8 2
20 1 25 1 #Up
21 9 5 1 #Up
22 6 10 1
23 7 11 1
24 9 12 1
25 9 13 1
26 10 14 2
27 11 15 2
28 25 26 1
29 25 27 2
30 26 28 2
31 27 29 1
32 28 30 1
33 28 31 1
34 30 32 1
35 29 30 2
|
|---|
