Entry |
|
Name |
|
Formula |
C24H22O12
|
Exact mass |
502.1111
|
Mol weight |
502.4243
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C16191 Malonyldaidzin
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Isoflavones
C16191 Malonyldaidzin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C16191 Malonyldaidzin
Dietary phytochemicals [br08012.html]
Flavonoids
C16191
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 36
1 C8y C 28.9416 -35.0785
2 C8x C 28.9416 -36.4733
3 C8x C 30.1969 -37.1706
4 C8y C 31.3824 -36.4733
5 C8y C 31.3824 -35.0785
6 C8x C 30.1969 -34.3811
7 C8y C 32.5680 -37.1706
8 C8y C 33.8232 -36.4733
9 C8x C 33.8232 -35.0785
10 O2x O 32.5680 -34.3811
11 O5x O 32.5680 -38.5654
12 O2a O 27.7561 -34.3811
13 C8y C 35.0186 -37.1766
14 C8x C 35.0070 -38.5700
15 C8x C 36.2135 -39.2801
16 C8y C 37.4317 -38.5902
17 C8x C 37.4434 -37.1969
18 C8x C 36.2368 -36.4868
19 O1a O 38.6428 -39.3030
20 C1y C 26.5685 -35.0541
21 O2x O 25.3921 -34.3622
22 C1y C 24.1741 -35.0524
23 C1y C 24.1628 -36.4523
24 C1y C 25.3391 -37.1442
25 C1y C 26.6272 -36.4541
26 O1a O 27.8292 -37.1402
27 O1a O 22.9274 -37.1522
28 O1a O 25.3108 -38.5697
29 C1b C 22.9575 -34.3366
30 O7a O 21.7270 -35.0332
31 C7a C 20.4858 -34.3030
32 C1b C 19.2874 -34.9821
33 O6a O 20.4971 -32.9001
34 C6a C 18.1127 -34.2912
35 O6a O 16.9041 -34.9762
36 O6a O 18.1239 -32.9000
BOND 39
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 9 10 1
11 5 10 1
12 7 11 2
13 1 12 1
14 8 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 20 12 1 #Up
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 25 26 1 #Down
30 23 27 1 #Down
31 24 28 1 #Up
32 22 29 1 #Up
33 29 30 1
34 30 31 1
35 31 32 1
36 31 33 2
37 32 34 1
38 34 35 1
39 34 36 2
|