Mol:
176520-13-1.mol by:chem960.com
ChemDraw08031019472D
…………
0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9593 4.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4739 3.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0097 3.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1272 5.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2940 6.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6204 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9468 3.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4400 3.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7101 4.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9803 3.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4951 1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4179 0.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9251 1.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 2 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 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 13 2 0 0 0 0
9 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 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 23 2 0 0 0 0
19 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
32 6 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 36 2 0 0 0 0
M END
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半枝莲碱 Smile 编码:
CC1C2(C(C(C(C(/C=C/C3=CC(=O)OC3)(C)C2CCC=1)(O)C)OC(C1=CC=CN=C1)=O)OC(C1=CC=CN=C1)=O)C
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