| Entry |
|
|---|
| Name |
Isoorientin;
Homoorientin;
Luteolin-6-C-glucoside
|
|---|
| Formula |
C21H20O11
|
|---|
| Exact mass |
448.1006
|
|---|
| Mol weight |
448.3769
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C01821 Isoorientin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavones
C01821 Isoorientin
Glycosides [BR:br08021]
C-glycosides
C01821 Isoorientin
Dietary phytochemicals [br08012.html]
Flavonoids
C01821
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 22.6968 -14.7422
2 C8y C 22.6968 -16.1415
3 O2x O 23.9563 -13.9958
4 C8x C 21.4841 -13.9958
5 C8y C 23.9563 -16.8412
6 C8y C 21.4841 -16.8412
7 C8y C 25.1691 -14.6955
8 C8y C 20.2713 -14.7422
9 C8x C 25.1691 -16.1415
10 O5x O 23.9563 -18.1706
11 C8y C 20.2713 -16.1415
12 O1a O 21.4841 -18.1939
13 C8y C 26.3819 -13.9958
14 O1a O 19.1051 -14.0425
15 C8x C 26.3819 -12.6431
16 C8x C 27.5946 -14.6955
17 C8x C 27.5946 -11.9434
18 C8y C 28.8075 -14.0425
19 C8y C 28.8075 -12.6431
20 O1a O 30.0202 -11.9434
21 O1a O 29.9736 -14.7422
22 C1y C 16.6329 -16.8412
23 C1y C 16.6329 -18.2406
24 C1y C 17.8457 -18.9403
25 C1y C 19.0584 -18.2406
26 C1y C 19.0584 -16.8412
27 O2x O 17.8457 -16.1415
28 O1a O 17.8457 -20.3397
29 C1b C 15.4201 -16.1415
30 O1a O 20.1313 -18.9403
31 O1a O 15.4901 -18.9403
32 O1a O 14.2073 -16.8412
BOND 35
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
|
|---|
