Mol:FL3FA8NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.6796    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5349    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2376   -0.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9521   -0.4311    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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  SBV   1 23   -4.5609    2.6689 
S  SKP  8 
ID	FL3FA8NS0003 
KNApSAcK_ID	C00003863 
NAME	5,7,2'-Trihydroxy-6'-methoxyflavone 
CAS_RN	92519-94-3 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)c(c(O)cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 
M  END