| Entry |
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| Name |
Hesperidin;
Hesperetin 7-O-rutinoside;
Ciratin
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| Formula |
C28H34O15
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| Exact mass |
610.1898
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| Mol weight |
610.56
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| Structure |
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| Remark |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09755 Hesperidin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavanones
C09755 Hesperidin
Glycosides [BR:br08021]
O-glycosides
Flavonoid glycosides
Flavanones
C09755 Hesperidin
Dietary phytochemicals [br08012.html]
Flavonoids
C09755
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Hesperidin
D01038 Hesperidin (JAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 43
1 C1y C 27.0200 -15.9600
2 C1y C 27.0200 -17.3600
3 C1y C 28.2100 -18.0600
4 C1y C 29.4700 -17.3600
5 C1y C 29.4700 -15.9600
6 O2x O 28.2100 -15.2600
7 O1a O 30.6600 -18.0600
8 C8x C 31.8500 -17.3600
9 C8y C 31.8500 -15.9600
10 O2a O 30.6600 -15.2600
11 C8y C 33.1100 -18.0600
12 C8y C 34.3000 -17.3600
13 C8y C 34.3000 -15.9600
14 C8x C 33.1100 -15.2600
15 C5x C 35.4900 -18.0600
16 C1x C 36.7500 -17.3600
17 C1y C 36.7500 -15.9600
18 O2x O 35.4900 -15.2600
19 O5x O 35.4900 -19.4600
20 O1a O 33.1100 -19.4600
21 C1b C 25.8300 -15.2600
22 C8y C 37.9400 -15.2600
23 O1a O 25.8300 -18.0600
24 O1a O 28.2100 -19.4600
25 O2a O 24.6400 -15.9600
26 C1y C 23.4500 -15.2600
27 O2x O 23.4500 -13.8600
28 C1y C 22.1900 -13.1600
29 C1y C 21.0000 -13.8600
30 C1y C 21.0000 -15.2600
31 C1y C 22.1900 -15.9600
32 C8x C 39.2000 -15.9600
33 C8x C 40.3900 -15.2600
34 C8y C 40.3900 -13.8600
35 C8y C 39.2000 -13.1600
36 C8x C 37.9400 -13.8600
37 O1a O 39.2000 -11.7600
38 O2a O 41.5800 -13.1600
39 C1a C 42.8400 -13.8600
40 O1a O 19.8100 -15.9600
41 O1a O 22.1900 -17.3600
42 C1a C 22.1900 -11.7600
43 O1a O 19.8100 -13.1600
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 8 9 1
8 9 10 1
9 5 10 1 #Up
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 12 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 2
21 11 20 1
22 1 21 1 #Up
23 17 22 1 #Down
24 4 7 1 #Down
25 2 23 1 #Down
26 3 24 1 #Up
27 21 25 1
28 26 25 1 #Up
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 26 31 1
35 22 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 22 36 1
41 35 37 1
42 34 38 1
43 38 39 1
44 30 40 1 #Down
45 31 41 1 #Down
46 28 42 1 #Down
47 29 43 1 #Up
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