Pelargonidin 3-O-sambubioside
Mrv1652309231721072D
49 53 0 0 1 0 999 V2000
-5.7158 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0012 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7158 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5724 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1434 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7145 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1434 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4289 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -2.4749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0012 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0012 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2868 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -2.4749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 1 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 1 0 0 0
6 8 1 6 0 0 0
9 8 1 1 0 0 0
9 10 1 6 0 0 0
9 11 1 0 0 0 0
11 12 1 6 0 0 0
11 13 1 1 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
24 25 2 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 2 0 0 0 0
26 32 1 0 0 0 0
11 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
34 36 1 6 0 0 0
36 37 1 0 0 0 0
34 38 1 0 0 0 0
38 39 1 6 0 0 0
38 40 1 1 0 0 0
38 41 1 0 0 0 0
9 41 1 0 0 0 0
41 42 1 1 0 0 0
41 43 1 1 0 0 0
6 44 1 0 0 0 0
44 45 1 6 0 0 0
44 46 1 1 0 0 0
44 47 1 0 0 0 0
2 47 1 0 0 0 0
47 48 1 1 0 0 0
47 49 1 1 0 0 0
M CHG 1 24 1
M END