Mol:FL7AAHGL0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  58 
M  SMT   2  CH2OH 
M  SVB   2 58   -5.0266   -0.5416 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  55  56 
M  SBL   1  1  60 
M  SMT   1  OCH3 
M  SVB   1 60   -0.1954    3.0289 
S  SKP  8 
ID	FL7AAHGL0013 
KNApSAcK_ID	C00006898 
NAME	Petunidin 3-(6''-p-coumarylglucoside)-5-glucoside 
CAS_RN	51939-66-3 
FORMULA	C37H39O19 
EXACTMASS	787.208554066 
AVERAGEMASS	787.69416 
SMILES	[C@@H]([C@H]1O)([C@H](Oc(c6)c(c(cc6O)4)cc(c(c(c5)cc(OC)c(O)c(O)5)[o+1]4)O[C@H](O2)C(C(O)[C@@H](O)[C@@H](COC(C=Cc(c3)ccc(c3)O)=O)2)O)OC(CO)[C@H](O)1)O 
M  END