Mol:
119417-96-8.mol by:chem960.com
ChemDraw08031019472D
…………
588 9.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0589 8.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0585 10.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4183 11.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7780 10.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1375 11.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6973 11.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 10.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 9.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6979 8.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9780 10.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9780 11.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9780 13.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3377 14.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7850 14.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1033 15.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 12.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8557 15.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6973 13.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15 16 1 0 0 0 0
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18 20 2 0 0 0 0
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36 39 1 6 0 0 0
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40 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
35 44 1 6 0 0 0
44 45 2 0 0 0 0
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46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 40 1 0 0 0 0
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51 52 1 0 0 0 0
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46 58 1 1 0 0 0
M END
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甘草皂苷E2 Smile 编码:
OC([C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2O[C@H]2CC[C@@]3([C@H]4C(=O)C=C5[C@@H]6C[C@@]7(C)C(O[C@H](C7)[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)=O)C)[C@H](O)[C@@H](O)[C@@H]1O)=O
甘草皂苷E2 InChi 编码:
甘草皂苷E2 InChiKey 编码:
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