Mol:
12777-70-7.mol by:chem960.com
ChemDraw08031019472D
…………
00 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2103 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9297 10.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9297 12.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 13.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 13.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6490 10.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6885 9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3288 10.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0481 10.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0481 12.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6885 12.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4078 12.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4078 14.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7674 15.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4078 9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7674 10.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8069 9.4200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4473 10.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
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绵马贯众素ABBA Smile 编码:
CCCC(C1=C(O)C(CC2=C(O)C(C(CCC)=O)=C(O)C(CC3C(O)=C(C(=O)C)C(=O)C(C)(C)C=3O)=C2O)=C(O)C(CC2C(O)=C(C(=O)C)C(=O)C(C)(C)C=2O)=C1O)=O
绵马贯众素ABBA InChi 编码:
绵马贯众素ABBA InChiKey 编码:
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