Mol:FL7AADGL0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  43  44 
M  SBL   1  1  47 
M  SMT   1  OCH3 
M  SVB   1 47   -0.8311    3.0289 
S  SKP  8 
ID	FL7AADGL0013 
KNApSAcK_ID	C00006861 
NAME	Peonidin 3-(6''-p-coumarylglucoside) 
CAS_RN	139973-96-9,71802-54-5,114128-01-7 
FORMULA	C31H29O13 
EXACTMASS	609.160816014 
AVERAGEMASS	609.55416 
SMILES	C(O)([C@H]1O)C(O)[C@H](Oc(c3)c(c(c5)ccc(O)c5OC)[o+1]c(c4)c(c(O)cc4O)3)O[C@H](COC(C=Cc(c2)ccc(O)c2)=O)1 
M  END