Mol:
19121-58-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
6.6485 25.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4850 27.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4781 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4781 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8378 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 8.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1974 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5571 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4781 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4781 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 9.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1185 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7588 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7588 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 11.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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澳洲茄碱 Smile 编码:
O1[C@@]2(CC[C@@H](C)CN2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O
澳洲茄碱 InChi 编码:
澳洲茄碱 InChiKey 编码:
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