Mol:FL1C1CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
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  9 10  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1  CH2OH 
M  SVB   1 32   -3.3125    1.1894 
S  SKP  8 
ID	FL1C1CGS0001 
KNApSAcK_ID	C00007218 
NAME	Coreopsin 
CAS_RN	499-29-6 
FORMULA	C21H22O10 
EXACTMASS	434.121296924 
AVERAGEMASS	434.39338 
SMILES	c(c2)c(cc(O)c2C(=O)C=Cc(c3)cc(c(O)c3)O)O[C@H](O1)[C@@H](O)[C@@H](O)[C@@H](O)C1CO 
M  END