Mol:FL7AAAGL0036

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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  56  57  59 
M  SBL   1  1  61 
M  SMT   1  COOH 
M  SVB   1 61   -3.9837    1.0648 
S  SKP  8 
ID	FL7AAAGL0036 
KNApSAcK_ID	C00006775 
NAME	Monodemalonylsalvianin 
CAS_RN	128508-43-0 
FORMULA	C39H39O21 
EXACTMASS	843.19838331 
AVERAGEMASS	843.7143599999999 
SMILES	c(c64)(c(cc(c6)O)O[C@@H]([C@H]5O)OC([C@@H]([C@@H]5O)O)COC(CC(O)=O)=O)cc(c([o+1]4)c(c3)ccc(O)c3)O[C@@H](C2O)O[C@@H]([C@H](O)C2O)COC(=O)C=Cc(c1)ccc(O)c1O 
M  END
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