Mol:FL3F98NS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    0.8237    1.6001 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.3149   -0.5453 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    1.3168   -0.1643 
S  SKP  8 
ID	FL3F98NS0011 
KNApSAcK_ID	C00003856 
NAME	Zapotinin 
CAS_RN	14813-20-8 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	O(c12)C(c(c(OC)3)c(OC)ccc3)=CC(c(c(O)c(OC)cc2)1)=O 
M  END