Mol:
174721-08-5.mol by:chem960.com
ChemDraw08031019472D
…………
.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0395 4.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5552 2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0197 2.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5355 1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5867 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6262 3.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9126 4.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6302 15.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9899 16.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3496 15.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7092 16.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9899 17.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2706 16.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 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 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 7 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 12 1 0 0 0 0
12 21 1 0 0 0 0
11 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 9 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
30 37 1 0 0 0 0
23 38 1 0 0 0 0
5 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 3 1 0 0 0 0
41 42 1 0 0 0 0
40 43 1 0 0 0 0
39 44 1 0 0 0 0
M END
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人参皂苷RH4 Smile 编码:
OCC1C(O)C(O)C(O)C(OC2C3C(C(CCC3(C)C3CC(O)C4C(/C(/C)=C/C/C=C(\C)/C)CCC4(C)C3(C)C2)O)(C)C)O1
人参皂苷RH4 InChi 编码:
人参皂苷RH4 InChiKey 编码:
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人参皂苷RH4
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