Mol:FL4DAANP0002

From Metabolomics.JP
Jump to: navigation, search

FL4DAANP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.5837   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0628   -0.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5419   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5419   -0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0628    0.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5837   -0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0210   -0.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4999   -0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4999   -0.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0210    0.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0202    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0210   -1.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5546   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0889    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0889    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5546    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0202    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0202   -0.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6224    1.2127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0628   -1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0628    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5837    1.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1046    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1046    0.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2724    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6224    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  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  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  8 18  1  1  0  0  0 
 15 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24  6  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
S  SKP  8 
ID	FL4DAANP0002 
KNApSAcK_ID	C00008620 
NAME	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone 
CAS_RN	523-60-4 
FORMULA	C20H20O6 
EXACTMASS	356.125988372 
AVERAGEMASS	356.3692 
SMILES	c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)2)c1c(C3)c(OC(C3)(C)C)c2)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox