Mol:FL7AACGL0008

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  42  43 
M  SBL   1  1  46 
M  SMT   1  CH2OH 
M  SVB   1 46    4.0696   -1.7113 
S  SKP  8 
ID	FL7AACGL0008 
KNApSAcK_ID	C00006660 
NAME	Cyanidin 3-gentiobioside 
CAS_RN	4453-78-5 
FORMULA	C27H31O16 
EXACTMASS	611.161209944 
AVERAGEMASS	611.52544 
SMILES	Oc(c(O)1)ccc(c([o+1]2)c(O[C@H](O4)C(O)C(O)[C@@H](O)[C@@H](CO[C@@H](C5O)O[C@@H]([C@@H](C(O)5)O)CO)4)cc(c3O)c2cc(O)c3)c1 
M  END