赖索胆碱毒素B结构式

赖索胆碱毒素B
中文名称:赖索胆碱毒素B
英文名称:Lissoclinotoxin B
CAS No.:157536-34-0
分子式:C10H11NO2S5 分子量:337.525
赖索胆碱毒素B 数据
Mol:
000    1.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313    1.4487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956    2.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    1.3975    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.1700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5951    0.1700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    1.3975    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2246    2.9281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    3.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11  1  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  4  0  0  0  0
 29  1  4  0  0  0  0
 29 28  1  0  0  0  0
M  END                                
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赖索胆碱毒素B Smile 编码:
c12c3SSSSSc3c(OC([H])([H])[H])c(O[H])c1C(N(C(C2([H])[H])([H])[H])[H])([H])[H]
赖索胆碱毒素B InChi 编码:
InChI=1/C10H11NO2S5/c1-13-8-7(12)6-4-11-3-2-5(6)9-10(8)15-17-18-16-14-9/h11-12H,2-4H2,1H3
赖索胆碱毒素B InChiKey 编码:
BWGYBDMWPGTABF-UHFFFAOYSA-N