4’-羟基汉黄芩素结构式

4’-羟基汉黄芩素
中文名称:4’-羟基汉黄芩素
英文名称:4'-Hydroxywogonin
CAS No.:57096-02-3
分子式:C16H12O6 分子量:300.2629
4’-羟基汉黄芩素 数据
Mol:
  0  0  0  0  0  0  0  0  0  0  0  0
    6.7996   11.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7996    8.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7996    7.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    8.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    7.0657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22  8  2  0  0  0  0
M  END                                
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4’-羟基汉黄芩素 Smile 编码:
OC1=CC=C(C2=CC(=O)C3=C(C=C(C(OC)=C3O2)O)O)C=C1
4’-羟基汉黄芩素 InChi 编码:
1S/C16H12O6/c1-21-15-12(20)6-10(18)14-11(19)7-13(22-16(14)15)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
4’-羟基汉黄芩素 InChiKey 编码:
OEZZJTAJYYSQKM-UHFFFAOYSA-N