| Entry |
|
|---|
| Name |
Neoeriocitrin;
Eriodictyol 7-O-neohesperidoside
|
|---|
| Formula |
C27H32O15
|
|---|
| Exact mass |
596.1741
|
|---|
| Mol weight |
596.53
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09805 Neoeriocitrin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavanones
C09805 Neoeriocitrin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavanones
C09805 Neoeriocitrin
Dietary phytochemicals [br08012.html]
Flavonoids
C09805
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 42
1 C8y C 25.3014 -12.9659
2 C8y C 25.2955 -14.3342
3 O2x O 26.4942 -12.2818
4 C8x C 24.1201 -12.2818
5 C5x C 26.4825 -15.0242
6 C8y C 24.1201 -15.0184
7 C1y C 27.6755 -12.9776
8 C8y C 22.9273 -12.9659
9 C1x C 27.6696 -14.3459
10 O5x O 26.4767 -16.3985
11 C8x C 22.9273 -14.3342
12 O1a O 24.1260 -16.3925
13 O2a O 21.7343 -12.2701
14 C1y C 20.2959 -12.9367
15 C1y C 20.2959 -14.3050
16 O2x O 19.1146 -12.2524
17 O2a O 21.5472 -15.2464
18 C1y C 19.1146 -14.9950
19 C1y C 17.9159 -12.9367
20 C1y C 21.5589 -17.5504
21 C1y C 17.9159 -14.3050
22 O1a O 19.1146 -16.3634
23 C1b C 16.7348 -12.2524
24 C1y C 22.7460 -18.2345
25 O2x O 20.3660 -18.2345
26 O1a O 16.7348 -14.9950
27 O1a O 15.5477 -12.9367
28 C1y C 22.7460 -19.6088
29 O1a O 23.9271 -17.5504
30 C1y C 20.3660 -19.6088
31 C1y C 21.5589 -20.2929
32 O1a O 23.9271 -20.2929
33 C1a C 19.1789 -20.2929
34 O1a O 21.5589 -21.6612
35 C8y C 28.8683 -12.2935
36 C8x C 28.8683 -10.9251
37 C8x C 30.0496 -12.9893
38 C8y C 30.0613 -10.2468
39 C8x C 31.2367 -12.3109
40 C8y C 31.2424 -10.9368
41 O1a O 30.0671 -8.8785
42 O1a O 32.4354 -10.2585
BOND 46
1 5 9 1
2 5 10 2
3 6 11 2
4 6 12 1
5 8 13 1
6 14 13 1 #Up
7 14 15 1
8 14 16 1
9 15 17 1 #Down
10 15 18 1
11 16 19 1
12 20 17 1 #Up
13 18 21 1
14 18 22 1 #Up
15 19 23 1 #Up
16 20 24 1
17 20 25 1
18 21 26 1 #Down
19 23 27 1
20 24 28 1
21 24 29 1 #Down
22 25 30 1
23 28 31 1
24 28 32 1 #Down
25 30 33 1 #Down
26 31 34 1 #Up
27 7 9 1
28 8 11 1
29 19 21 1
30 30 31 1
31 7 35 1 #Down
32 1 2 2
33 1 3 1
34 1 4 1
35 2 5 1
36 2 6 1
37 3 7 1
38 4 8 2
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 39 40 2
|
|---|
