Mol:FL4DCENI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  SLB  1   2   2 
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M  SBL   2  1  30 
M  SMT   2  OCH3 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -1.7916    0.4484 
S  SKP  8 
ID	FL4DCENI0001 
KNApSAcK_ID	C00008642 
NAME	Isotirumalin 
CAS_RN	119736-72-0 
FORMULA	C22H24O7 
EXACTMASS	400.152203122 
AVERAGEMASS	400.42176000000006 
SMILES	O(C)c(c3CC=C(C)C)cc(c2c3O)O[C@@H]([C@H](C(=O)2)O)c(c1)cc(c(OC)c1)O 
M  END