Entry |
|
Name |
Rutin hydrate (JAN); Rutin trihydrate |
Formula |
C27H30O16. 3H2O
|
Exact mass |
664.1851
|
Mol weight |
664.5633
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Vascular protectant |
Comment |
Bioflavonoid
Rutin: major constituent of Forsythia fruit
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C05 VASOPROTECTIVES
C05C CAPILLARY STABILIZING AGENTS
C05CA Bioflavonoids
C05CA01 Rutoside
D00190 Rutin hydrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
Agents for circulatory system and blood
22 Blood vessel reinforcing drugs
D00190 Rutin hydrate (JAN)
Nourishing tonics and health supplements
43 Vitamin containing supplements
D00190 Rutin hydrate (JAN)
|
Other DBs |
|
KCF data |
ATOM 46
1 C8y C 26.8813 -14.0699
2 C8x C 26.8813 -15.4563
3 C8y C 28.0850 -16.1496
4 C8x C 28.0850 -13.3767
5 C8y C 29.2815 -14.0699
6 C8y C 29.2756 -15.4563
7 C8y C 30.4734 -16.1547
8 C8y C 31.6770 -15.4666
9 C8y C 31.6830 -14.0801
10 O2x O 30.4852 -13.3817
11 C8y C 32.8867 -13.3920
12 C8x C 34.0807 -14.0936
13 C8y C 35.2842 -13.4055
14 C8y C 35.2904 -12.0192
15 C8x C 34.0926 -11.3206
16 C8x C 32.8888 -12.0089
17 O1a O 28.0883 -17.5361
18 O1a O 25.6811 -13.3760
19 O5x O 30.4674 -17.5411
20 O1a O 36.4940 -11.3309
21 O1a O 36.4820 -14.1039
22 O2a O 33.0132 -16.1648
23 C1y C 34.4812 -17.4799
24 O2x O 34.4775 -18.8573
25 C1y C 35.6684 -19.5492
26 C1y C 36.8632 -18.8637
27 C1y C 36.8669 -17.4863
28 C1y C 35.6758 -16.7944
29 O1a O 35.6796 -15.4080
30 O1a O 38.0695 -16.7963
31 O1a O 38.0620 -19.5602
32 C1b C 35.6648 -20.9356
33 O2a O 34.4624 -21.6257
34 C1y C 33.2634 -20.9292
35 O2x O 33.2678 -19.5473
36 C1y C 32.0691 -18.8509
37 C1y C 30.8665 -19.5410
38 C1y C 30.8627 -20.9274
39 C1y C 32.0616 -21.6238
40 C1a C 32.0727 -17.4645
41 O1a O 29.6675 -18.8445
42 O1a O 29.6601 -21.6175
43 O1a O 32.0600 -23.0103
44 O0 O 42.3500 -16.7300
45 O0 O 42.3500 -16.7300
46 O0 O 42.3500 -16.7300
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
BRACKET 1 40.3200 -17.6400 40.3200 -15.8900
1 43.0500 -15.8900 43.0500 -17.6400
1 3
ORIGINAL 1 44
REPEAT 1 45 46
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