Mol:FLIAADCS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 CH2OH 
M  SBV   1 33   -7.2619    5.7810 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2 OCH3 
M  SBV   2 35   -7.1112    5.8680 
S  SKP  8 
ID	FLIAADCS0001 
KNApSAcK_ID	C00006132 
NAME	Dalpanitin 
CAS_RN	40522-83-6 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	C(C4CO)(C(C(O)C(O4)c(c12)c(O)cc(O)c(C(C(c(c3)cc(c(c3)O)OC)=CO2)=O)1)O)O 
M  END