Mol:FL4DFCNS0002

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FL4DFCNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.2001   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0060    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7205    0.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4190    0.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9993    1.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    -1.419     0.694 
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     2.006     1.056 
S  SKP  8 
ID	FL4DFCNS0002 
KNApSAcK_ID	C00008589 
NAME	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone 
CAS_RN	111514-43-3 
FORMULA	C17H16O8 
EXACTMASS	348.08451748799996 
AVERAGEMASS	348.30413999999996 
SMILES	COc(c3)c(O)cc(c3)C(O1)C(O)C(=O)c(c(O)2)c1c(OC)c(O)c2 
M  END
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