Mol:
1287702-60-6.mol by:chem960.com
ChemDraw08031019472D
…………
10.9631 -2.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5507 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0482 -1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9964 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4694 -2.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4541 -2.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6569 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4883 -3.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4777 -3.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4832 -1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0085 -1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5012 -0.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6834 -6.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9256 -4.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4071 -4.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6731 -2.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5764 -4.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14 15 1 0 0 0 0
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32 39 1 6 0 0 0
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33 35 1 0 0 0 0
33 42 1 1 0 0 0
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35 49 1 6 0 0 0
36 37 1 0 0 0 0
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37 45 1 6 0 0 0
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38 44 1 6 0 0 0
38 37 1 0 0 0 0
41 42 1 0 0 0 0
14 50 1 6 0 0
M END
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Fallaxsaponin A Smile 编码:
OC([C@@]12CCC3[C@]4(C)CC[C@]5([H])[C@@](C)([C@]4(CCC=3[C@]1([H])CC(C)(CC2)C)[H])C[C@@H]([C@H](O[C@]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)[H])[C@@]5(C)C(=O)O)O)=O
Fallaxsaponin A InChi 编码:
Fallaxsaponin A InChiKey 编码:
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Fallaxsaponin A
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