Mol:
148707-39-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0
10.7263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6536 1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6651 2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5923 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3243 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3243 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4583 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1904 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3243 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21 1 1 1
1 24 1 0
20 2 1 1
2 34 1 0
3 26 1 0
3 37 1 0
4 31 1 0
4 40 1 0
5 32 1 0
5 45 1 0
6 33 1 0
6 46 1 0
7 35 1 0
7 47 1 0
8 34 2 0
9 37 2 0
10 41 1 0
10 52 1 0
11 42 1 0
11 53 1 0
12 44 1 0
12 54 1 0
13 40 2 0
14 45 2 0
15 46 2 0
16 47 2 0
17 52 2 0
18 53 2 0
19 54 2 0
20 21 1 0
20 22 1 0
21 25 1 0
22 23 1 0
23 24 2 0
23 26 1 0
24 27 1 0
25 28 2 0
25 29 1 0
26 30 2 0
27 31 2 0
28 33 1 0
29 32 2 0
30 31 1 0
32 35 1 0
33 35 2 0
34 36 1 0
36 38 2 0
36 39 1 0
37 43 1 0
38 42 1 0
39 41 2 0
40 48 1 0
41 44 1 0
42 44 2 0
45 49 1 0
46 50 1 0
47 51 1 0
52 55 1 0
53 56 1 0
54 57 1 0
M END
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乙酰化EGCG Smile 编码:
O1C2C=C(C=C(C=2C[C@H]([C@H]1C1C=C(C(=C(C=1)OC(C)=O)OC(C)=O)OC(C)=O)OC(C1C=C(C(=C(C=1)OC(C)=O)OC(C)=O)OC(C)=O)=O)OC(C)=O)OC(C)=O
乙酰化EGCG InChi 编码:
乙酰化EGCG InChiKey 编码:
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