Mol:
219944-46-4.mol by:chem960.com
ChemDraw08031019472D
…………
21.7581 6.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7581 5.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.3985 4.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3985 7.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6791 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0388 6.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.3195 6.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3195 5.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2800 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2800 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6397 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9203 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9203 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5607 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2010 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5607 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2010 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2010 6.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9203 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9598 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6002 6.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2405 7.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6002 5.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9598 9.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6002 11.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2405 12.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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25 26 1 6 0 0 0
23 27 1 6 0 0 0
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28 29 1 1 0 0 0
28 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 0 0 0 0
32 22 2 0 0 0 0
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69 70 1 1 0 0 0
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77 44 1 0 0 0 0
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79 33 1 0 0 0 0
M END
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七叶皂苷D Smile 编码:
C/C=C(\C(O[C@@H]1C(C)(C)C[C@H]2C3=CC[C@@H]4[C@]5(CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2(COC(=O)C)[C@H]1O)C)=O)/C
七叶皂苷D InChi 编码:
七叶皂苷D InChiKey 编码:
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七叶皂苷D
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