Mol:FL3FADCS0019

 
 
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  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -2.1189    1.9683 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    2.1931    1.4624 
S  SKP  8 
ID	FL3FADCS0019 
KNApSAcK_ID	C00006366 
NAME	Episcoparin 
CAS_RN	53156-94-8 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	O[C@@H]([C@H]4O)[C@H](O)[C@@H](OC4CO)c(c31)c(O)cc(O)c1C(=O)C=C(O3)c(c2)cc(c(c2)O)OC 
M  END