根皮苷结构式

中文名称:根皮苷
英文名称:Phlorizin
CAS No.:60-81-1
分子式:C21H24O10 分子量:436.4093
根皮苷 数据
Mol:
 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    5.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    7.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    5.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    2.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    3.1400    0.0000 O   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  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 21  1  0  0  0  0
M  END                                
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根皮苷 Smile 编码:
O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1=C([H])C(=C([H])C(=C1C(C([H])([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O)O[H])O[H]
根皮苷 InChi 编码:
1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
根皮苷 InChiKey 编码:
IOUVKUPGCMBWBT-QNDFHXLGSA-N