Entry |
|
Name |
Eucommin A;
Medioresinol 4'-O-beta-D-glucopyranoside
|
Formula |
C27H34O12
|
Exact mass |
550.205
|
Mol weight |
550.5517
|
Structure |
|
Brite |
Phytochemical compounds [BR:br08003]
Phenylpropanoids
Lignans
Lignan glycosides
C10560 Eucommin A
Dietary phytochemicals [br08012.html]
Other phytochemicals
C10560
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 39
1 C1y C 26.4218 -21.2258
2 C1y C 27.8195 -21.2432
3 C1y C 26.0417 -22.5535
4 C1x C 25.9421 -19.9099
5 C1y C 28.2056 -19.8397
6 C1x C 28.2817 -22.4775
7 C8y C 24.8310 -23.2553
8 O2x O 27.1938 -23.3313
9 O2x O 27.0476 -19.0559
10 C8y C 29.3169 -19.0442
11 C8x C 24.8368 -24.6356
12 C8x C 23.6437 -22.5535
13 C8x C 30.5158 -19.7403
14 C8x C 29.3169 -17.6582
15 C8y C 23.6437 -25.3315
16 C8y C 22.4388 -23.2494
17 C8y C 31.7148 -19.0442
18 C8x C 30.5158 -16.9621
19 C8y C 22.4388 -24.6356
20 O2a O 23.6495 -26.7178
21 O2a O 21.2340 -22.5535
22 C8y C 31.7148 -17.6582
23 O2a O 32.9138 -19.7403
24 O2a O 21.1989 -25.3492
25 C1a C 24.8427 -27.4020
26 C1a C 20.0351 -23.2494
27 O1a O 33.0951 -16.7165
28 C1a C 34.1185 -19.0442
29 C1y C 19.7895 -26.1913
30 O2x O 18.5963 -25.5011
31 C1y C 19.7895 -27.5833
32 C1y C 17.3915 -26.1913
33 C1y C 18.5963 -28.2734
34 O1a O 21.0000 -28.2734
35 C1y C 17.3915 -27.5833
36 C1b C 16.1983 -25.4954
37 O1a O 18.5963 -29.6537
38 O1a O 16.1983 -28.2734
39 O1a O 15.0110 -26.1913
BOND 43
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1 #Down
7 3 8 1
8 4 9 1
9 5 10 1 #Down
10 7 11 2
11 7 12 1
12 10 13 1
13 10 14 2
14 11 15 1
15 12 16 2
16 13 17 2
17 14 18 1
18 15 19 2
19 15 20 1
20 16 21 1
21 17 22 1
22 17 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 29 24 1 #Up
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Down
34 32 35 1
35 32 36 1 #Up
36 33 37 1 #Up
37 35 38 1 #Down
38 36 39 1
39 5 9 1
40 6 8 1
41 16 19 1
42 18 22 2
43 33 35 1
|