Mol:FL7AACGL0004

Latest revision as of 09:00, 14 March 2009

 
 
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  40  41 
M  SBL   1  1  44 
M  SMT   1 CH2OH 
M  SBV   1 44   -5.4482    4.4385 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  42  43 
M  SBL   2  1  46 
M  SMT   2 ^CH2OH 
M  SBV   2 46   -5.9790    4.7216 
S  SKP  8 
ID	FL7AACGL0004 
KNApSAcK_ID	C00002378 
NAME	Cyanin;Cyanidin 3,5-diglucoside 
CAS_RN	2611-67-8 
FORMULA	C27H31O16 
EXACTMASS	611.161209944 
AVERAGEMASS	611.52544 
SMILES	Oc(c(O)1)ccc(c(c4OC(O5)C(C(O)C(C5CO)O)O)[o+1]c(c3)c(c4)c(cc3O)OC(O2)C(C(C(O)C2CO)O)O)c1 
M  END