Mol:FL7AAGGL0022

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FL7AAGGL0022.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  40  53 
M  SBL   1  1  43 
M  SMT   1  CH2OH 
M  SVB   1 43   -3.1369   -0.3646 
S  SKP  8 
ID	FL7AAGGL0022 
KNApSAcK_ID	C00006885 
NAME	Bisdemalonylsalviadelphin 
CAS_RN	128508-47-4 
FORMULA	C36H37O20 
EXACTMASS	789.187818624 
AVERAGEMASS	789.66698 
SMILES	c(c5)(c4c(O[C@@H]([C@@H](O)6)OC([C@@H]([C@@H]6O)O)CO)cc5O)[o+1]c(c(c4)O[C@@H](C2O)O[C@H](COC(=O)C=Cc(c3)ccc(c(O)3)O)[C@H](O)C2O)c(c1)cc(O)c(O)c(O)1 
M  END
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