Mol:FLICWXNP0002

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FLICWXNP0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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   -1.3240   -0.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  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

</pre>

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