Mol:FL1DCAGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  31 
M  SMT   2  CH2OH 
M  SVB   2 31   -2.4284   -0.0148 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -1.0492    1.3934 
S  SKP  8 
ID	FL1DCAGS0001 
KNApSAcK_ID	C00007992 
NAME	Asebotin 
CAS_RN	11075-15-3 
FORMULA	C22H26O10 
EXACTMASS	450.152597052 
AVERAGEMASS	450.43584 
SMILES	O[C@@H]([C@H]3O)[C@@H](OC(CO)[C@@H]3O)Oc(c1)c(C(=O)CCc(c2)ccc(O)c2)c(cc1OC)O 
M  END