Mol:FLIAEAGS0002

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FLIAEAGS0002.png

 
 
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 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1 CH2OH 
M  SBV   1 36   -5.8091    3.5022 
S  SKP  8 
ID	FLIAEAGS0002 
KNApSAcK_ID	C00010121 
NAME	Irilone 4'-O-glucoside 
CAS_RN	50868-47-8 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	O(c12)COc1c(c(C3=O)c(OC=C3c(c5)ccc(c5)OC(C(O)4)OC(CO)C(O)C4O)c2)O 
M  END
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