棕矢车菊素结构式

中文名称:棕矢车菊素
英文名称:Jaceosidin
CAS No.:18085-97-7
分子式:C17H14O7 分子量:330.2889
棕矢车菊素 数据
Mol:
0  0  0  0  0
    9.5197    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    4.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5197    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    1.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8004    2.3550    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  1  0  0  0  0
  4  5  2  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  3  2  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 10  2  0  0  0  0
 13 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 12  2  0  0  0  0
M  END                                
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棕矢车菊素 Smile 编码:
COC1=C(O)C=CC(C2=CC(=O)C3=C(C(=C(C=C3O2)O)OC)O)=C1
棕矢车菊素 InChi 编码:
1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
棕矢车菊素 InChiKey 编码:
GLAAQZFBFGEBPS-UHFFFAOYSA-N