Mol:FL5FFANS0024

From Metabolomics.JP
Jump to: navigation, search

FL5FFANS0024.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 35  0  0  0  0  0  0  0  0999 V2000 
   -0.7191    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7287    0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0691   -0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6813   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7124    0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0191    1.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4268    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3877    1.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1365    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1444   -0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4343   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0691   -1.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1421    0.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8607    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8631    2.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1476    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4331    2.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3877    2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3958   -0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6048    2.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2799    2.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6813   -1.6647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3958   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1102   -1.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9799    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4343   -1.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1488   -2.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1488   -1.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8633   -1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8509    1.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5654    0.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5654    0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2799    1.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  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  2  1  0  0  0  0 
  7  5  1  0  0  0  0 
  2  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11  1  2  0  0  0  0 
  3 12  2  0  0  0  0 
  7 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17  7  1  0  0  0  0 
 11 26  1  0  0  0  0 
  9 30  1  0  0  0  0 
  8 18  1  0  0  0  0 
  4 19  1  0  0  0  0 
 19 23  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 18 25  1  0  0  0  0 
 26 28  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 30 32  1  0  0  0  0 
 31 32  2  0  0  0  0 
 32 33  1  0  0  0  0 
S  SKP  8 
ID	FL5FFANS0024 
KNApSAcK_ID	C00013545 
NAME	3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	117155-59-6 
FORMULA	C23H20O10 
EXACTMASS	456.10564686 
AVERAGEMASS	456.3989 
SMILES	O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox