Mol:FL7AAGGL0021

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FL7AAGGL0021.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   -0.6147 
S  SKP  8 
ID	FL7AAGGL0021 
KNApSAcK_ID	C00006884 
NAME	Awobanin;Delphinidin-3-(6-O-p-coumarylglucoside)-5-glucoside 
CAS_RN	64615-55-0,136031-06-6 
FORMULA	C36H37O19 
EXACTMASS	773.192904002 
AVERAGEMASS	773.66758 
SMILES	O[C@@H](C(CO)1)[C@@H]([C@@H]([C@H](Oc(c62)cc(cc2[o+1]c(c(c6)O[C@H](O4)C(C([C@@H](O)[C@H]4COC(C=Cc(c5)ccc(c5)O)=O)O)O)c(c3)cc(O)c(O)c(O)3)O)O1)O)O 
M  END
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