Mol:FLIBALNI0004

 
 
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  31  32 
M  SBL   1  1  33 
M  SMT   1 ^OCH3 
M  SBV   1 33   -5.9069    5.3988 
S  SKP  8 
ID	FLIBALNI0004 
KNApSAcK_ID	C00009564 
NAME	Isosophoranone 
CAS_RN	64280-18-8 
FORMULA	C26H30O6 
EXACTMASS	438.204238692 
AVERAGEMASS	438.51279999999997 
SMILES	Oc(c3)c(c(c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O)OC)CC=C(C)C 
M  END