Mol:FLNABENM0001

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FLNABENM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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    0.9015   -1.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5075   -0.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5074   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7783    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3842    0.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -0.9466     0.462 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    0.1871   -1.5107 
S  SKP  8 
ID	FLNABENM0001 
KNApSAcK_ID	C00010244 
NAME	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin 
CAS_RN	91377-14-9 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c3C=O)(O)cc(c(c3OC)1)OC(=O)C=C(c(c2)cc(O)c(OC)c2)1 
M  END
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