Mol:FL3FECNS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8201    1.3481    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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  2 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.3202     0.482 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    1.6687    1.7424 
S  SKP  8 
ID	FL3FECNS0011 
KNApSAcK_ID	C00003892 
NAME	6-Hydroxyluteolin 7,3'-dimethyl ether;5,6,4'-Trihydroxy-7,3'-dimethoxyflavone;5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	25782-25-6 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c(OC)1 
M  END