Mol:FLIBALCS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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  6  1  2  0  0  0  0 
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  8  9  1  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34   -2.6643    0.6349 
S  SKP  8 
ID	FLIBALCS0001 
KNApSAcK_ID	C00006120 
NAME	Macrocarposide 
CAS_RN	105798-86-5 
FORMULA	C21H22O11 
EXACTMASS	450.116211546 
AVERAGEMASS	450.39278 
SMILES	Oc(c4)cc(c(c4)C(C3)C(c(c(O3)2)c(c(c(O)c2)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O)O)=O)O 
M  END