格雷维林B结构式

格雷维林B
中文名称:格雷维林B
英文名称:Grevilline B
CAS No.:41744-33-6
分子式:C18H12O7 分子量:340.284
格雷维林B 数据
Mol:
00 H   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
    4.0790   14.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983   14.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   14.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   14.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   11.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983   16.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1580   17.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    7.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   10.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  4  0  0  0  0
 13  2  4  0  0  0  0
 13 14  1  0  0  0  0
  1 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  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
 21 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  1  0  0  0  0
 24 26  4  0  0  0  0
 26 27  1  0  0  0  0
 26 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 29 31  4  0  0  0  0
 31 23  4  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 20 35  1  0  0  0  0
 35  1  1  0  0  0  0
 35 36  2  0  0  0  0
 18 37  2  0  0  0  0
M  END                                
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格雷维林B Smile 编码:
C1(C(=O)/C(=C(/c2c([H])c([H])c(O[H])c([H])c2[H])\[H])/OC(=O)C=1O[H])c1c([H])c(O[H])c(O[H])c([H])c1[H]
格雷维林B InChi 编码:
InChI=1/C18H12O7/c19-11-4-1-9(2-5-11)7-14-16(22)15(17(23)18(24)25-14)10-3-6-12(20)13(21)8-10/h1-8,19-21,23H/b14-7-
格雷维林B InChiKey 编码:
SJGOQLCKPXMLHK-AUWJEWJLSA-N