Mol:
33458-82-1.mol by:chem960.com
ChemDraw08031019472D
…………
0
2.6904 6.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4593 5.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6876 4.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9629 6.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2754 7.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3032 5.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8449 6.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7893 4.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6548 6.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6945 5.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6947 3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0545 2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3352 2.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2947 5.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2947 3.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5754 3.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8 10 1 0 0 0 0
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11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 6 0 0 0
15 17 1 0 0 0 0
17 18 1 1 0 0 0
17 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
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29 30 1 0 0 0 0
7 30 1 6 0 0 0
29 31 1 1 0 0 0
29 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 2 0 0 0 0
33 38 1 0 0 0 0
38 6 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
32 43 1 0 0 0 0
43 7 1 0 0 0 0
43 44 1 6 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 2 0 0 0 0
11 48 1 0 0 0 0
48 49 1 6 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
50 52 2 0 0 0 0
48 53 1 0 0 0 0
53 6 1 0 0 0 0
53 54 1 6 0 0 0
54 55 1 0 0 0 0
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55 57 2 0 0 0 0
M END
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右旋异紫堇定,卫矛碱 Smile 编码:
CC(OC[C@@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]3OC([C@H]([C@@H](C4N=CC=CC=4C(OC[C@]4([C@@H]([C@@H](OC(=O)C)[C@]1(O4)C3(C)O)[C@H]([C@H]2OC(=O)C)OC(=O)C)C)=O)C)C)=O)=O
右旋异紫堇定,卫矛碱 InChi 编码:
右旋异紫堇定,卫矛碱 InChiKey 编码:
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右旋异紫堇定,卫矛碱
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