Mol:FL5FECGL0004

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FL5FECGL0004.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  45  46 
M  SBL   2  1  49 
M  SMT   2  CH2OH 
M  SVB   2 49    1.3577   -1.0785 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  43  44 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SVB   1 47   -3.2216    0.1615 
S  SKP  8 
ID	FL5FECGL0004 
KNApSAcK_ID	C00005646 
NAME	Patuletin 3-gentiobioside 
CAS_RN	101021-28-7 
FORMULA	C28H32O18 
EXACTMASS	656.1588642199999 
AVERAGEMASS	656.54288 
SMILES	O([C@@H](OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)1)[C@H](CO[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O)[C@@H](C(C(O)1)O)O 
M  END
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