| Entry |
|
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| Name |
Quercetin 3,3',7-trissulfate
|
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| Formula |
C15H10O16S3
|
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| Exact mass |
541.9131
|
|---|
| Mol weight |
542.4253
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C03897 Quercetin 3,3',7-trissulfate
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C03897 Quercetin 3,3',7-trissulfate
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 34
1 O2a O 34.3350 -16.6913
2 S4a S 35.7224 -16.6913
3 O1d O 35.7161 -18.0787
4 O1d O 37.1098 -16.6913
5 O1d O 35.7161 -15.2975
6 C8y C 29.4367 -16.5559
7 C8y C 29.4874 -18.0072
8 C8y C 30.6388 -15.8527
9 O2x O 28.2091 -15.8462
10 C8y C 28.2156 -18.6721
11 O2a O 30.6514 -18.6657
12 C8x C 30.6323 -14.4715
13 C8x C 31.8471 -16.5431
14 C8y C 26.9880 -16.5622
15 C8y C 26.9880 -17.9688
16 O5x O 28.2156 -20.0660
17 S4a S 32.0388 -18.6657
18 C8x C 31.8278 -13.7620
19 C8y C 33.0235 -15.9037
20 C8x C 25.7732 -15.8653
21 C8y C 25.7732 -18.6785
22 O1d O 32.0325 -20.0532
23 O1d O 33.4262 -18.6657
24 O1d O 32.0325 -17.2720
25 C8y C 33.0363 -14.4524
26 C8y C 24.5648 -16.5622
27 C8x C 24.5648 -17.9688
28 O1a O 25.7668 -20.0723
29 O1a O 34.2447 -13.7620
30 O2a O 23.3628 -15.8653
31 S4a S 21.9690 -15.8653
32 O1d O 21.9690 -14.4780
33 O1d O 20.5816 -15.8653
34 O1d O 21.9690 -17.2592
BOND 36
1 2 5 2
2 1 2 1
3 2 3 1
4 2 4 2
5 6 7 2
6 6 8 1
7 6 9 1
8 7 10 1
9 7 11 1
10 8 12 1
11 8 13 2
12 9 14 1
13 10 15 1
14 10 16 2
15 11 17 1
16 12 18 2
17 13 19 1
18 14 20 1
19 15 21 1
20 17 22 1
21 17 23 2
22 17 24 2
23 18 25 1
24 20 26 2
25 21 27 2
26 21 28 1
27 25 29 1
28 26 30 1
29 30 31 1
30 31 32 1
31 31 33 2
32 31 34 2
33 14 15 2
34 19 25 2
35 26 27 1
36 19 1 1
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