Mol:FL1CALNI0001

 
 
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  31 
M  SMT   1 OCH3 
M  SBV   1 31   -8.9643    2.0468 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  33 
M  SMT   2 OCH3 
M  SBV   2 33   -7.9754    2.5264 
S  SKP  8 
ID	FL1CALNI0001 
KNApSAcK_ID	C00007139 
NAME	Kushenol D 
CAS_RN	99217-65-9 
FORMULA	C27H32O6 
EXACTMASS	452.219888756 
AVERAGEMASS	452.53938 
SMILES	c(c1)c(C=CC(=O)c(c2O)c(OC)cc(O)c(CC(C(C)=C)CC=C(C)C)2)c(OC)cc1O 
M  END