Mol:FLICWXNP0002

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FLICWXNP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
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    2.5270   -1.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9322    0.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7432   -1.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1218   -1.3474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6095   -0.8904    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 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
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  1 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
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  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -5.7949    2.8988 
S  SKP  8 
ID	FLICWXNP0002 
KNApSAcK_ID	C00009756 
NAME	Neorauflavene 
CAS_RN	53734-75-1 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	c(c1)(C(C4)=Cc(c(O4)2)c(c(C=3)c(OC(C3)(C)C)c2)OC)c(O)cc(O)c1 
M  END
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