Mol:FL7AAIGL0020

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FL7AAIGL0020.png 

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  62  63 
M  SBL   3  1  67 
M  SMT   3  OCH3 
M  SVB   3 67    0.8277    1.2645 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  60  61 
M  SBL   2  1  65 
M  SMT   2  OCH3 
M  SVB   2 65    0.3346    3.0289 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  56  57  58 
M  SBL   1  1  61 
M  SMT   1  COOH 
M  SVB   1 61   -5.7809    0.5932 
S  SKP  8 
ID	FL7AAIGL0020 
KNApSAcK_ID	C00006911 
NAME	Salviamalvin 
CAS_RN	128508-48-5 
FORMULA	C41H43O22 
EXACTMASS	887.22459806 
AVERAGEMASS	887.76692 
SMILES	[C@@H]([C@@H](O)6)([C@H](O)[C@@H](OC6COC(=O)CC(O)=O)Oc(c21)cc(cc1[o+1]c(c(c5)cc(c(c5OC)O)OC)c(O[C@H](O3)C(C([C@@H](O)[C@@H](COC(C=Cc(c4)ccc(O)c4)=O)3)O)O)c2)O)O 
M  END
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