| Entry |
|
|---|
| Name |
Neohesperidin;
Hesperetin 7-O-neohesperidoside
|
|---|
| Formula |
C28H34O15
|
|---|
| Exact mass |
610.1898
|
|---|
| Mol weight |
610.5606
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09806 Neohesperidin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavanones
C09806 Neohesperidin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavanones
C09806 Neohesperidin
Dietary phytochemicals [br08012.html]
Flavonoids
C09806
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 43
1 C8y C 29.5433 -14.6495
2 C8y C 29.5373 -16.0179
3 O2x O 30.7361 -13.9654
4 C8x C 28.3619 -13.9654
5 C5x C 30.7244 -16.7080
6 C8y C 28.3619 -16.7022
7 C1y C 31.9175 -14.6612
8 C8y C 27.1691 -14.6495
9 C1x C 31.9116 -16.0296
10 O5x O 30.7187 -18.0823
11 C8x C 27.1691 -16.0179
12 O1a O 28.3679 -18.0764
13 O2a O 25.9760 -13.9537
14 C1y C 24.5374 -14.6204
15 C1y C 24.5374 -15.9888
16 O2x O 23.3562 -13.9361
17 O2a O 25.7890 -16.9303
18 C1y C 23.3562 -16.6788
19 C1y C 22.1574 -14.6204
20 C1y C 25.8007 -19.2343
21 C1y C 22.1574 -15.9888
22 O1a O 23.3562 -18.0472
23 C1b C 20.9761 -13.9361
24 C1y C 26.9878 -19.9184
25 O2x O 24.6076 -19.9184
26 O1a O 20.9761 -16.6788
27 O1a O 19.7890 -14.6204
28 C1y C 26.9878 -21.2927
29 O1a O 28.1689 -19.2343
30 C1y C 24.6076 -21.2927
31 C1y C 25.8007 -21.9769
32 O1a O 28.1689 -21.9769
33 C1a C 23.4205 -21.9769
34 O1a O 25.8007 -23.3453
35 C8y C 33.1104 -13.9771
36 C8x C 33.1104 -12.6087
37 C8x C 34.2917 -14.6729
38 C8y C 34.3034 -11.9304
39 C8x C 35.4788 -13.9946
40 C8y C 35.4846 -12.6204
41 O1a O 34.3092 -10.5620
42 O2a O 36.6776 -11.9421
43 C1a C 37.8822 -12.6496
BOND 47
1 5 10 2
2 6 11 2
3 6 12 1
4 8 13 1
5 14 13 1 #Up
6 14 15 1
7 14 16 1
8 15 17 1 #Down
9 15 18 1
10 16 19 1
11 20 17 1 #Up
12 18 21 1
13 18 22 1 #Up
14 19 23 1 #Up
15 20 24 1
16 20 25 1
17 21 26 1 #Down
18 23 27 1
19 24 28 1
20 24 29 1 #Down
21 25 30 1
22 28 31 1
23 28 32 1 #Down
24 30 33 1 #Down
25 31 34 1 #Up
26 7 9 1
27 8 11 1
28 19 21 1
29 30 31 1
30 7 35 1 #Down
31 1 2 2
32 1 3 1
33 1 4 1
34 2 5 1
35 2 6 1
36 3 7 1
37 4 8 2
38 5 9 1
39 35 36 1
40 35 37 2
41 36 38 2
42 37 39 1
43 38 40 1
44 38 41 1
45 40 42 1
46 42 43 1
47 39 40 2
|
|---|
