Mol:FL1CACGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 34  0  0  0  0  0  0  0  0999 V2000 
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  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
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 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -5.8719    4.3433 
S  SKP  8 
ID	FL1CACGS0001 
KNApSAcK_ID	C00007914 
NAME	3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside 
CAS_RN	20126-63-0 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	C(C1Oc(c2)c(C(=O)C=Cc(c3)cc(c(O)c3)O)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO 
M  END