Mol:FL7AADGL0015

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FL7AADGL0015.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  55  56 
M  SBL   2  1  60 
M  SMT   2  CH2OH 
M  SVB   2 60   -1.5597   -2.3142 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  53  54 
M  SBL   1  1  58 
M  SMT   1  OCH3 
M  SVB   1 58    0.7113    3.7203 
S  SKP  8 
ID	FL7AADGL0015 
KNApSAcK_ID	C00006863 
NAME	Penidin 3-[6-(3-glucosylcaffeyl)glucoside] 
CAS_RN	175737-95-8 
FORMULA	C37H39O19 
EXACTMASS	787.208554066 
AVERAGEMASS	787.69416 
SMILES	c(c(O)6)c(c(c(c6)O)4)[o+1]c(c(c5)cc(c(c5)O)OC)c(c4)O[C@H](O1)C(O)C([C@H]([C@H]1COC(C=Cc(c2)ccc(O)c2O[C@H](O3)[C@H]([C@@H](O)[C@@H](O)C3CO)O)=O)O)O 
M  END
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