Mol:FL7AAAGL0030

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FL7AAAGL0030.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  52  53 
M  SBL   1  1  57 
M  SMT   1 ^OCH3 
M  SBV   1 57   -7.4201    6.1492 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  54  55 
M  SBL   2  1  59 
M  SMT   2 ^CH2OH 
M  SBV   2 59   -7.1545    7.1216 
S  SKP  8 
ID	FL7AAAGL0030 
KNApSAcK_ID	C00006769 
NAME	Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside 
CAS_RN	168647-43-6 
FORMULA	C37H39O18 
EXACTMASS	771.213639444 
AVERAGEMASS	771.69476 
SMILES	OC(C1O)C(CO)OC(Oc(c62)cc(cc([o+1]c(c(c6)OC(O4)C(C(C(O)C4COC(C=Cc(c5)ccc(O)c(OC)5)=O)O)O)c(c3)ccc(c3)O)2)O)C1O 
M  END
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