Mol:FL5FECGS0033

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 40  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  36  37 
M  SBL   4  1  39 
M  SMT   4  CH2OH 
M  SVB   4 39     0.665    2.3356 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  37 
M  SMT   3  OCH3 
M  SVB   3 37     2.254    0.3022 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SVB   2 35   -2.7696   -0.5289 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    0.2112   -2.6324 
S  SKP  8 
ID	FL5FECGS0033 
KNApSAcK_ID	C00005679 
NAME	Oxyayanin B 3'-glucoside 
CAS_RN	71827-12-8 
FORMULA	C24H26O13 
EXACTMASS	522.137340918 
AVERAGEMASS	522.45544 
SMILES	COc(c4O)cc(O1)c(c4O)C(C(OC)=C1c(c2)ccc(OC)c2O[C@H](O3)[C@H]([C@@H](O)[C@H](C3CO)O)O)=O 
M  END