Mol:FL2FF8NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.6796   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.0290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0107    0.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.5363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5597   -1.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452   -1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7445    1.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2445    2.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452    0.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4086    1.7648    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -0.8452    0.8652 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23    0.7445    1.5655 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.5597    -1.153 
S  SKP  8 
ID	FL2FF8NS0002 
KNApSAcK_ID	C00008260 
NAME	7-Hydroxy-5,8,2'-trimethoxyflavanone 
CAS_RN	100079-34-3 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)c(OC)ccc3)C2)1)OC 
M  END