Mol:FL3FCANM0001

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FL3FCANM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.9630    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2622   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    1.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8202    1.6360    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 
 15 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  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   -2.3202      0.77 
S  SKP  8 
ID	FL3FCANM0001 
KNApSAcK_ID	C00003989 
NAME	Sideroxylin;4',5-Dihydroxy-7-methoxy-6,8-dimethylflavone;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one 
CAS_RN	3122-87-0 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(C(O2)=CC(c(c3O)c2c(c(c3C)OC)C)=O)(c1)ccc(O)c1 
M  END
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