| Entry |
|
|---|
| Name |
Chrysophanol 8-O-beta-D-glucoside;
Chrysophanol 8-glucoside
|
|---|
| Formula |
C21H20O9
|
|---|
| Exact mass |
416.1107
|
|---|
| Mol weight |
416.3781
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10316 Chrysophanol 8-O-beta-D-glucoside
Phytochemical compounds [BR:br08003]
Polyketides
Anthraquinones
Anthraquinone type
C10316 Chrysophanol 8-O-beta-D-glucoside
Glycosides [BR:br08021]
O-glycosides
Anthraquinone glycosides
C10316 Chrysophanol 8-O-beta-D-glucoside
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 28.8880 -18.6700
2 C8y C 28.8821 -20.0686
3 C8y C 27.6760 -17.9707
4 C5x C 30.1060 -17.9766
5 C5x C 30.0944 -20.7796
6 C8x C 27.6760 -20.7739
7 O2a O 27.6817 -16.5720
8 C8x C 26.4580 -18.6700
9 C8y C 31.3181 -18.6817
10 O5x O 30.1118 -16.5780
11 C8y C 31.3064 -20.0745
12 O5x O 30.0884 -22.1782
13 C8x C 26.4580 -20.0686
14 C1y C 26.4580 -15.8612
15 C8y C 32.5361 -17.9940
16 C8x C 32.5070 -20.7913
17 O2x O 26.4521 -14.4567
18 C1y C 25.2517 -16.5720
19 C8x C 33.7307 -18.6992
20 O1a O 32.5477 -16.5954
21 C8y C 33.7191 -20.0979
22 C1y C 25.2341 -13.7690
23 C1y C 24.0337 -15.8729
24 O1a O 25.2574 -17.9707
25 C1a C 34.9254 -20.8146
26 C1y C 24.0221 -14.4683
27 C1b C 25.2284 -12.3646
28 O1a O 22.8274 -16.5837
29 O1a O 22.8157 -13.7807
30 O1a O 24.0180 -11.6724
BOND 33
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 2
13 14 7 1 #Up
14 9 15 1
15 11 16 1
16 14 17 1
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 2
21 17 22 1
22 18 23 1
23 18 24 1 #Down
24 21 25 1
25 22 26 1
26 22 27 1 #Up
27 23 28 1 #Up
28 26 29 1 #Down
29 8 13 1
30 9 11 2
31 19 21 1
32 23 26 1
33 27 30 1
|
|---|
