Mol:FL5FABNSS001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 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  25  26 
M  SBL   1  1  27 
M  SMT   1 OCH3 
M  SBV   1 27   -5.9154    5.0985 
S  SKP  8 
ID	FL5FABNSS001 
KNApSAcK_ID	C00004950 
NAME	Kaempferide 3-O-sulfate 
CAS_RN	130827-47-3 
FORMULA	C16H12O9S 
EXACTMASS	380.020202672 
AVERAGEMASS	380.32708 
SMILES	COc(c3)ccc(c3)C(O1)=C(OS(O)(=O)=O)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END