| Entry |
|
|---|
| Name |
Quercetin 3,3'-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
C01155 Quercetin 3,3'-bissulfate
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C01155 Quercetin 3,3'-bissulfate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 27.9526 -16.5853
2 C8y C 27.9274 -18.0180
3 C8y C 29.1393 -15.8910
4 O2x O 26.7407 -15.8846
5 C8y C 26.7471 -18.6808
6 O2a O 29.1519 -18.6744
7 C8x C 29.1329 -14.5275
8 C8x C 30.3322 -16.5727
9 C8y C 25.5352 -16.5916
10 C8y C 25.5352 -17.9801
11 O5x O 26.7471 -20.0505
12 S4a S 30.5153 -18.6682
13 C8x C 30.3132 -13.8333
14 C8y C 31.4936 -15.9414
15 C8x C 24.3296 -15.9099
16 C8y C 24.3296 -18.6808
17 O1d O 30.5153 -20.0379
18 O1d O 31.8912 -18.6682
19 O1d O 30.5153 -17.2922
20 C8y C 31.5063 -14.5087
21 C8y C 23.1430 -16.5916
22 C8x C 23.1430 -17.9801
23 O1a O 24.3296 -20.0568
24 O1a O 32.6992 -13.8270
25 O1a O 21.9563 -15.9099
26 O2a O 32.7883 -16.7188
27 S4a S 34.2911 -16.7157
28 O1d O 34.2834 -18.2258
29 O1d O 34.2834 -15.2055
30 O1d O 35.8012 -16.7157
BOND 32
1 2 6 1
2 3 7 1
3 3 8 2
4 4 9 1
5 5 10 1
6 5 11 2
7 6 12 1
8 7 13 2
9 8 14 1
10 9 15 1
11 10 16 1
12 12 17 1
13 12 18 2
14 12 19 2
15 13 20 1
16 15 21 2
17 16 22 2
18 16 23 1
19 20 24 1
20 21 25 1
21 9 10 2
22 14 20 2
23 21 22 1
24 14 26 1
25 1 2 2
26 26 27 1
27 1 3 1
28 27 28 1
29 1 4 1
30 27 29 2
31 2 5 1
32 27 30 2
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