| Entry |
|
|---|
| Name |
Biochanin A-beta-D-glucoside;
Biochanin A 7-O-beta-D-glucoside;
Sissotrin
|
|---|
| Formula |
C22H22O10
|
|---|
| Exact mass |
446.1213
|
|---|
| Mol weight |
446.4041
|
|---|
| Structure |
|
|---|
| Reaction |
R06795 R06796
|
|---|
| Pathway |
| map00943 | Isoflavonoid biosynthesis |
|
|---|
| Enzyme |
2.3.1.115 2.4.1.170
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C05376 Biochanin A-beta-D-glucoside
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Isoflavones
C05376 Biochanin A-beta-D-glucoside
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Isoflavones
C05376 Biochanin A-beta-D-glucoside
|
|---|
| Other DBs |
|
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| KCF data |
ATOM 32
1 C8y C 27.0191 -15.1980
2 C8x C 27.0191 -16.5985
3 C8y C 28.2350 -17.2988
4 C8x C 28.2350 -14.4977
5 C8y C 29.4436 -15.1980
6 C8y C 29.4375 -16.5985
7 C8y C 30.6474 -17.3040
8 C8y C 31.8634 -16.6089
9 C8x C 31.8693 -15.2084
10 O2x O 30.6595 -14.5030
11 C8y C 33.0733 -17.3144
12 C8x C 33.0602 -18.7134
13 C8x C 34.2701 -19.4187
14 C8y C 35.4859 -18.7237
15 C8x C 35.4918 -17.3232
16 C8x C 34.2820 -16.6177
17 O5x O 30.6415 -18.7046
18 O2a O 36.6958 -19.4291
19 C1a C 37.9116 -18.7341
20 O1a O 28.2382 -18.6993
21 O2a O 25.8066 -14.4972
22 C1y C 24.5933 -15.1968
23 O2x O 23.3866 -14.4988
24 C1y C 22.1734 -15.1983
25 C1y C 22.1725 -16.5989
26 C1y C 23.3851 -17.2998
27 C1y C 24.5984 -16.6002
28 C1b C 20.9608 -14.4976
29 O1a O 20.9594 -17.2986
30 O1a O 23.3844 -18.7003
31 O1a O 25.8123 -17.2986
32 O1a O 19.7475 -15.1972
BOND 35
1 14 15 1
2 15 16 2
3 16 11 1
4 5 6 1
5 7 17 2
6 6 7 1
7 14 18 1
8 7 8 1
9 18 19 1
10 8 9 2
11 3 20 1
12 9 10 1
13 1 21 1
14 10 5 1
15 22 21 1 #Up
16 8 11 1
17 1 2 2
18 2 3 1
19 3 6 2
20 22 23 1
21 23 24 1
22 24 25 1
23 25 26 1
24 26 27 1
25 27 22 1
26 5 4 2
27 24 28 1 #Up
28 4 1 1
29 25 29 1 #Down
30 11 12 2
31 26 30 1 #Up
32 12 13 1
33 27 31 1 #Down
34 13 14 2
35 28 32 1
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