| Entry |
|
|---|
| Name |
Quercetin 3,4'-bissulfate
|
|---|
| Formula |
C15H10O13S2
|
|---|
| Exact mass |
461.9563
|
|---|
| Mol weight |
462.3621
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C01156 Quercetin 3,4'-bissulfate
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C01156 Quercetin 3,4'-bissulfate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 28.1466 -17.2851
2 C8y C 28.1210 -18.7353
3 C8y C 29.3478 -16.5886
4 O2x O 26.9200 -16.5823
5 C8y C 26.9263 -19.4062
6 O2a O 29.3606 -19.3999
7 C8x C 29.3415 -15.2085
8 C8x C 30.5553 -17.2786
9 C8y C 25.6995 -17.2978
10 C8y C 25.6995 -18.7034
11 O5x O 26.9263 -20.7990
12 S4a S 30.7406 -19.3934
13 C8x C 30.5362 -14.4993
14 C8y C 31.7309 -16.6397
15 C8x C 24.4792 -16.6014
16 C8y C 24.4792 -19.4127
17 O1d O 30.7406 -20.7862
18 O1d O 32.1334 -19.3934
19 O1d O 30.7406 -18.0069
20 C8y C 31.7437 -15.1893
21 C8y C 23.2780 -17.2978
22 C8x C 23.2780 -18.7034
23 O1a O 24.4792 -20.7990
24 O2a O 32.9512 -14.4993
25 O1a O 22.0769 -16.6014
26 S4a S 34.3314 -14.4930
27 O1d O 34.3314 -13.1065
28 O1d O 35.7242 -14.4930
29 O1d O 34.3249 -15.8858
30 O1a O 33.0413 -17.4268
BOND 32
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 8 14 1
14 9 15 1
15 10 16 1
16 12 17 1
17 12 18 2
18 12 19 2
19 13 20 1
20 15 21 2
21 16 22 2
22 16 23 1
23 20 24 1
24 21 25 1
25 24 26 1
26 26 27 1
27 26 28 2
28 26 29 2
29 9 10 2
30 14 20 2
31 21 22 1
32 14 30 1
|
|---|
