灯盏花苷 I结构式

灯盏花苷 I
中文名称:灯盏花苷 I
英文名称:Erigeside I
CAS No.:224824-74-2
分子式:C20H20O11 分子量:436.3662
灯盏花苷 I 数据
Mol:
 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   14.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   14.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   15.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   14.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 24 25  2  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 15  1  0  0  0  0
 28 29  1  6  0  0  0
 27 30  1  1  0  0  0
 26 31  1  6  0  0  0
M  END                                
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灯盏花苷 I Smile 编码:
O=C(OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=C(=O)C=CO=C2)O1)/C=C/C1=CC(O)=C(O)C=C1
灯盏花苷 I InChi 编码:
1S/C20H20O11/c21-11-3-1-10(7-13(11)23)2-4-16(24)29-9-15-17(25)18(26)19(27)20(31-15)30-14-8-28-6-5-12(14)22/h1-8,15,17-21,23,25-27H,9H2/b4-2+/t15-,17-,18+,19-,20-/m1/s1
灯盏花苷 I InChiKey 编码:
CLFSHBHNICRSDA-ROGMSIAGSA-N