蒙花苷结构式

中文名称:蒙花苷
英文名称:Linarin
CAS No.:480-36-4
分子式:C28H32O14 分子量:592.5453
蒙花苷 数据
Mol:
 0  0  0  0  0  0  0  0  0
   13.1936   -9.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814   -7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7744  -10.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814   -9.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148   -9.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481   -7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481   -9.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2814   -6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9147   -7.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2814   -5.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5744   -6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9147   -4.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5744   -5.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8410   -5.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0     0  0
  1 23  1  0     0  0
  2 20  1  0     0  0
  2 24  1  0     0  0
 20  3  1  1     0  0
  3 25  1  0     0  0
 16  4  1  1     0  0
 17  5  1  6     0  0
 23  6  1  6     0  0
  6 27  1  0     0  0
 18  7  1  1     0  0
 19  8  1  6     0  0
 21  9  1  6     0  0
 22 10  1  1     0  0
 11 30  1  0     0  0
 11 34  1  0     0  0
 12 31  1  0     0  0
 13 33  2  0     0  0
 14 41  1  0     0  0
 14 42  1  0     0  0
 15 16  1  0     0  0
 15 25  1  6     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 23  1  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 24  1  0     0  0
 24 26  1  6     0  0
 27 28  1  0     0  0
 27 29  2  0     0  0
 28 30  2  0     0  0
 29 31  1  0     0  0
 30 32  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 35  1  0     0  0
 34 35  2  0     0  0
 34 36  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
 37 39  1  0     0  0
 38 40  2  0     0  0
 39 41  2  0     0  0
 40 41  1  0     0  0
M  END                                
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蒙花苷 Smile 编码:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O)OC1=CC(=C2C(C=C(C3C=CC(=CC=3)OC)OC2=C1)=O)O
蒙花苷 InChi 编码:
1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11?,19?,21-,22+,23+,24+,25?,26?,27+,28+/m0/s1
蒙花苷 InChiKey 编码:
YFVGIJBUXMQFOF-VZVPIKCFSA-N