Mol:FLIA1LNI0002

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Copyright: ARM project http://www.metabolome.jp/
 28 30  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
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 27 28  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    2.0248    0.0076
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27   -0.1162    0.2832
S  SKP  8
ID	FLIA1LNI0002
KNApSAcK_ID	C00009443
NAME	Licoricone
CAS_RN	51847-92-8
FORMULA	C22H22O6
EXACTMASS	382.141638436
AVERAGEMASS	382.40648000000004
SMILES	c(c13)c(O)ccc1C(C(=CO3)c(c(O)2)c(OC)c(c(c2)OC)CC=C(C)C)=O
M  END

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