Mol:FLIABANP0001

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FLIABANP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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  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
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  6  1  2  0  0  0  0
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  2 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 OCH3
M  SBV   1 33   -5.6150    3.7434
S  SKP  8
ID	FLIABANP0001
KNApSAcK_ID	C00009518
NAME	Scandinone;Nallanin
CAS_RN	5233-97-6
FORMULA	C26H26O5
EXACTMASS	418.178023942
AVERAGEMASS	418.48163999999997
SMILES	C(c12)=CC(Oc(c(CC=C(C)C)c(c(C(=O)3)c(OC=C(c(c4)ccc(c4)O)3)2)OC)1)(C)C
M  END

</pre>

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