| Entry |
|
|---|
| Name |
Isoscoparine;
Isoscoparin;
C-Glucosyl-6 chrysoeriol;
Chrysoeriol 6-C-glucoside
|
|---|
| Formula |
C22H22O11
|
|---|
| Exact mass |
462.1162
|
|---|
| Mol weight |
462.4035
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C05990 Isoscoparine
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C05990 Isoscoparine
Glycosides [BR:br08021]
C-glycosides
C05990 Isoscoparine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 27.6881 -26.9667
2 C8y C 27.6881 -28.3659
3 O2x O 28.9475 -26.2205
4 C8x C 26.4756 -26.2205
5 C8y C 28.9475 -29.0655
6 C8y C 26.4756 -29.0655
7 C8y C 30.1601 -26.9201
8 C8y C 25.2629 -26.9667
9 C8x C 30.1601 -28.3659
10 O5x O 28.9475 -30.4648
11 C8y C 25.2629 -28.3659
12 O1a O 26.4756 -30.4181
13 C8y C 31.3728 -26.2205
14 O1a O 24.0970 -26.2672
15 C8x C 31.3728 -24.8680
16 C8x C 32.5854 -26.9201
17 C8x C 32.5854 -24.1683
18 C8y C 33.7981 -26.2672
19 C8y C 33.7981 -24.8680
20 O1a O 35.0107 -24.1683
21 O2a O 34.9640 -26.9667
22 C1y C 21.6251 -29.0655
23 C1y C 21.6251 -30.4648
24 C1y C 22.8376 -31.1644
25 C1y C 24.0503 -30.4648
26 C1y C 24.0503 -29.0655
27 O2x O 22.8376 -28.3659
28 O1a O 22.8376 -32.5635
29 C1b C 20.4123 -28.3659
30 O1a O 25.2629 -31.1644
31 O1a O 20.4123 -31.1644
32 O1a O 19.1997 -29.0655
33 C1a C 36.1935 -26.2843
BOND 36
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 3 7 1
6 4 8 2
7 5 9 1
8 5 10 2
9 6 11 2
10 6 12 1
11 7 13 1
12 8 14 1
13 13 15 1
14 13 16 2
15 15 17 2
16 16 18 1
17 17 19 1
18 19 20 1
19 7 9 2
20 8 11 1
21 18 19 2
22 18 21 1
23 1 2 2
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 22 27 1
30 26 11 1 #Up
31 24 28 1 #Up
32 22 29 1 #Up
33 25 30 1 #Down
34 23 31 1 #Down
35 29 32 1
36 21 33 1
|
|---|
