Entry |
|
Name |
|
Formula |
C24H22O13
|
Exact mass |
518.1060
|
Mol weight |
518.42
|
Structure |

|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C16192 Malonylgenistin
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Isoflavones
C16192 Malonylgenistin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C16192 Malonylgenistin
Dietary phytochemicals [br08012.html]
Flavonoids
C16192
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 37
1 C8y C 22.5400 -36.0500
2 C8x C 22.5400 -37.4500
3 C8y C 23.7524 -38.1500
4 C8y C 24.9649 -37.4500
5 C8y C 24.9649 -36.0500
6 C8x C 23.7524 -35.3500
7 C8y C 26.1773 -38.1500
8 C8y C 27.3897 -37.4500
9 C8x C 27.3897 -36.0500
10 C8y C 28.5873 -38.1415
11 C8x C 28.5873 -39.5497
12 C8x C 29.7998 -40.2497
13 C8y C 31.0122 -39.5497
14 C8x C 31.0122 -38.1415
15 C8x C 29.7997 -37.4415
16 O1a O 32.2231 -40.2488
17 O5x O 26.1773 -39.5500
18 O1a O 23.7524 -39.5498
19 O2a O 21.3276 -35.3500
20 C1y C 20.1321 -36.0404
21 O2x O 18.9447 -35.3549
22 C1y C 17.7323 -36.0550
23 C1y C 17.7324 -37.4550
24 C1y C 18.9197 -38.1404
25 C1y C 20.1321 -37.4404
26 C1b C 16.5010 -35.3440
27 O1a O 18.9199 -39.5499
28 O1a O 16.5055 -38.1636
29 O1a O 21.3696 -38.1549
30 O7a O 15.3003 -36.0373
31 O2x O 26.1960 -35.3390
32 C7a C 14.1156 -35.3533
33 C1b C 12.9230 -36.0421
34 C6a C 11.7343 -35.3557
35 O6a O 10.5437 -36.0433
36 O6a O 14.1155 -33.9502
37 O6a O 11.7341 -33.9502
BOND 40
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 8 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 13 16 1
18 7 17 2
19 3 18 1
20 1 19 1
21 20 19 1 #Up
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 22 26 1 #Up
29 24 27 1 #Up
30 23 28 1 #Down
31 25 29 1 #Down
32 26 30 1
33 5 31 1
34 31 9 1
35 30 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 32 36 2
40 34 37 2
|