Mol:FL3FCCDS0002

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FL3FCCDS0002.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  40  41 
M  SBL   2  1  44 
M  SMT   2  CH2OH 
M  SVB   2 44   -4.0581   -1.6353 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  42  43 
M  SBL   1  1  46 
M  SMT   1  OCH3 
M  SVB   1 46   -2.1896   -0.3509 
S  SKP  8 
ID	FL3FCCDS0002 
KNApSAcK_ID	C00006262 
NAME	Swertiajaponin 4'-O-rhamnoside 
CAS_RN	87440-82-2 
FORMULA	C28H32O15 
EXACTMASS	608.174120354 
AVERAGEMASS	608.54468 
SMILES	O([C@@H](C(O)5)O[C@@H]([C@H](O)C5O)C)c(c1)c(O)cc(C(O2)=CC(=O)c(c3O)c(cc(OC)c3[C@H](O4)[C@H]([C@H]([C@H](C4CO)O)O)O)2)c1 
M  END
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