Mol:FL1CRTNM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -2.5101    0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5101   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9538   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3975   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3975    0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9538    0.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8412   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2849   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2712   -0.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8273   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3883   -0.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9493   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9493    0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3883    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8273    0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8412   -1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3883    1.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5101    0.4858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5101   -0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3883   -1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9491    1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4700    0.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0301    1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  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  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 11 20  1  0  0  0  0 
 22 23  1  0  0  0  0 
 17 21  2  0  0  0  0 
 15 22  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24      0.47    0.7807 
S  SKP  8 
ID	FL1CRTNM0001 
KNApSAcK_ID	C00007037 
NAME	3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone 
CAS_RN	130278-10-3 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(c2O)(c(c(c(c2C=O)OC)C=CC(=O)c(c1)cccc1)O)C 
M  END