Mol:FL7AAIGL0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  40  41 
M  SBL   3  1  43 
M  SMT   3  OCH3 
M  SVB   3 43    0.3038    0.7532 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  38  39 
M  SBL   2  1  41 
M  SMT   2  OCH3 
M  SVB   2 41   -0.1893    2.5176 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  35  37  36 
M  SBL   1  1  38 
M  SMT   1  COOH 
M  SVB   1 38    3.9307   -1.9397 
S  SKP  8 
ID	FL7AAIGL0011 
KNApSAcK_ID	C00006902 
NAME	Malvidin 3-(6''-malonylglucoside) 
CAS_RN	122856-12-6 
FORMULA	C26H27O15 
EXACTMASS	579.134995194 
AVERAGEMASS	579.48358 
SMILES	O([C@@H](C(O)4)O[C@H](COC(=O)CC(O)=O)[C@H](O)C4O)c(c3)c([o+1]c(c23)cc(O)cc2O)c(c1)cc(OC)c(c(OC)1)O 
M  END