| Entry |
|
|---|
| Name |
Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside);
Biochanin A 7-O-beta-D-glucoside 6''-O-malonate
|
|---|
| Formula |
C25H24O13
|
|---|
| Exact mass |
532.1217
|
|---|
| Mol weight |
532.4503
|
|---|
| Structure |
|
|---|
| Reaction |
R06796
|
|---|
| Pathway |
| map00943 | Isoflavonoid biosynthesis |
|
|---|
| Enzyme |
2.3.1.115
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C12625 Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Isoflavones
C12625 Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C12625 Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C8y C 31.9613 -17.2641
2 C8y C 31.9674 -15.8713
3 C8y C 33.1568 -17.9666
4 C8y C 30.7657 -17.9604
5 O2x O 33.1692 -15.1871
6 C8x C 30.7657 -15.1810
7 C8y C 34.3709 -17.2701
8 O5x O 33.1508 -19.3595
9 C8x C 29.5576 -17.2641
10 O1a O 30.7657 -19.3534
11 C8x C 34.3772 -15.8836
12 C8y C 29.5576 -15.8713
13 O2a O 28.3559 -15.1748
14 C1y C 26.8953 -15.9697
15 O2x O 25.6936 -15.2795
16 C1y C 26.8953 -17.3627
17 C1y C 24.4916 -15.9697
18 C1y C 25.6936 -18.0590
19 O1a O 28.0971 -18.0590
20 C1y C 24.4916 -17.3627
21 C1b C 23.4439 -15.2303
22 O1a O 25.6996 -19.4519
23 O1a O 23.2838 -18.0590
24 O7a O 22.0758 -15.9697
25 C7a C 20.8740 -15.2795
26 C1b C 19.6660 -15.9697
27 O6a O 20.8740 -13.8867
28 C6a C 18.4642 -15.2795
29 O6a O 18.4642 -13.8867
30 O6a O 17.2666 -15.9697
31 C8y C 35.5806 -17.9743
32 C8x C 35.5714 -19.3688
33 C8x C 36.7811 -20.0731
34 C8y C 37.9957 -19.3777
35 C8x C 38.0007 -17.9779
36 C8x C 36.7913 -17.2737
37 O2a O 39.2053 -20.0819
38 C1a C 40.4199 -19.3865
BOND 41
1 4 9 2
2 4 10 1
3 5 11 1
4 6 12 2
5 12 13 1
6 14 13 1 #Up
7 14 15 1
8 14 16 1
9 15 17 1
10 16 18 1
11 16 19 1 #Down
12 17 20 1
13 17 21 1 #Up
14 18 22 1 #Up
15 20 23 1 #Down
16 21 24 1
17 24 25 1
18 25 26 1
19 25 27 2
20 26 28 1
21 28 29 1
22 28 30 2
23 7 11 2
24 9 12 1
25 18 20 1
26 7 31 1
27 1 2 2
28 1 3 1
29 1 4 1
30 2 5 1
31 2 6 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 35 36 2
37 36 31 1
38 3 7 1
39 34 37 1
40 3 8 2
41 37 38 1
|
|---|