Mol:FL5FABGI0013

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FL5FABGI0013.png 

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  57  58 
M  SBL   2  1  62 
M  SMT   2  CH2OH 
M  SVB   2 62   -4.0679     1.231 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  55  56 
M  SBL   1  1  60 
M  SMT   1  OCH3 
M  SVB   1 60     3.012    2.1209 
S  SKP  8 
ID	FL5FABGI0013 
KNApSAcK_ID	C00005830 
NAME	Epimedin C 
CAS_RN	110642-44-9 
FORMULA	C39H50O19 
EXACTMASS	822.294629418 
AVERAGEMASS	822.8029 
SMILES	C(O1)([C@H]([C@@H](O)[C@H](O)[C@H]1O[C@H]([C@H]2OC(C3=O)=C(c(c6)ccc(c6)OC)Oc(c4CC=C(C)C)c3c(cc4O[C@H](O5)[C@H]([C@@H](O)[C@@H](O)C5CO)O)O)[C@@H]([C@@H](C(C)O2)O)O)O)C 
M  END
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