Mol:FL2FE8NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1 OCH3 
M  SBV   1 25   -7.8365    5.6525 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2 ^OCH3 
M  SBV   2 27   -7.8343    5.6438 
S  SKP  8 
ID	FL2FE8NS0001 
KNApSAcK_ID	C00000942 
NAME	Betagarin 
CAS_RN	60132-69-6 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c(C(C4)(Oc(c3)c(C4=O)c(c(c32)OCO2)OC)[H])1)(OC)cccc1 
M  END