| Entry |
|
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| Name |
Rutin;
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one;
Quercetin 3-rutinoside;
Rutoside;
Phytomelin
|
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| Formula |
C27H30O16
|
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| Exact mass |
610.1534
|
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| Mol weight |
610.52
|
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| Structure |
|
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| Remark |
|
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| Reaction |
|
|---|
| Pathway |
| map00944 | Flavone and flavonol biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C05625 Rutin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C05625 Rutin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavones and flavonols
C05625 Rutin
Dietary phytochemicals [br08012.html]
Flavonoids
C05625
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C05 VASOPROTECTIVES
C05C CAPILLARY STABILIZING AGENTS
C05CA Bioflavonoids
C05CA01 Rutoside
D08499 Rutoside (INN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Rutin
D08499 Rutoside (INN)
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| Other DBs |
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| KCF data |
ATOM 43
1 C8y C 27.0900 -14.0700
2 C8x C 27.0900 -15.4700
3 C8y C 28.2800 -16.1700
4 C8x C 28.2800 -13.3700
5 C8y C 29.4700 -14.0700
6 C8y C 29.4700 -15.4700
7 C8y C 30.6600 -16.1700
8 C8y C 31.9200 -15.4700
9 C8y C 31.9200 -14.0700
10 O2x O 30.7300 -13.3700
11 C8y C 33.1100 -13.3700
12 C8x C 34.3000 -14.0700
13 C8y C 35.4900 -13.4400
14 C8y C 35.4900 -12.0400
15 C8x C 34.3000 -11.3400
16 C8x C 33.1100 -12.0400
17 O1a O 28.2800 -17.5700
18 O1a O 25.9000 -13.3700
19 O5x O 30.6600 -17.5700
20 O1a O 36.6800 -11.3400
21 O1a O 36.6800 -14.0700
22 O2a O 33.2500 -16.1700
23 C1y C 34.7200 -17.5000
24 O2x O 34.7200 -18.8300
25 C1y C 35.9100 -19.5300
26 C1y C 37.1000 -18.8300
27 C1y C 37.1000 -17.5000
28 C1y C 35.9100 -16.8000
29 O1a O 35.9100 -15.4000
30 O1a O 38.2900 -16.8000
31 O1a O 38.2900 -19.5300
32 C1b C 35.9100 -20.9300
33 O2a O 34.6500 -21.6300
34 C1y C 33.4600 -20.9300
35 O2x O 33.4600 -19.5300
36 C1y C 32.2700 -18.8300
37 C1y C 31.0800 -19.5300
38 C1y C 31.0800 -20.9300
39 C1y C 32.2700 -21.6300
40 C1a C 32.2700 -17.4300
41 O1a O 29.8900 -18.8300
42 O1a O 29.8900 -21.6300
43 O1a O 32.2700 -23.0300
BOND 47
1 9 10 1
2 13 21 1
3 10 5 1
4 8 22 1
5 23 22 1 #Up
6 9 11 1
7 1 2 2
8 2 3 1
9 3 6 2
10 5 4 2
11 23 24 1
12 24 25 1
13 25 26 1
14 26 27 1
15 27 28 1
16 28 23 1
17 4 1 1
18 28 29 1 #Down
19 11 12 2
20 27 30 1 #Up
21 12 13 1
22 26 31 1 #Down
23 13 14 2
24 25 32 1 #Up
25 14 15 1
26 32 33 1
27 15 16 2
28 34 33 1 #Up
29 16 11 1
30 5 6 1
31 3 17 1
32 6 7 1
33 1 18 1
34 34 35 1
35 35 36 1
36 36 37 1
37 37 38 1
38 38 39 1
39 39 34 1
40 7 8 1
41 36 40 1 #Down
42 7 19 2
43 37 41 1 #Up
44 8 9 2
45 38 42 1 #Down
46 14 20 1
47 39 43 1 #Down
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