Mol:FL1C1AGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
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 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1 CH2OH 
M  SBV   1 31   -4.4668    5.2868 
S  SKP  8 
ID	FL1C1AGS0002 
KNApSAcK_ID	C00007184 
NAME	Isoliquiritin 
CAS_RN	5041-81-6 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	C(Oc(c2)ccc(C=CC(=O)c(c(O)3)ccc(O)c3)c2)(O1)C(O)C(O)C(O)C1CO 
M  END