Mol:FL3FCBCS0008

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FL3FCBCS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35   -2.9906    0.1075 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  OCH3 
M  SVB   2 33    3.4552    1.5321 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  31 
M  SMT   1  OCH3 
M  SVB   1 31    -1.274     0.891 
S  SKP  8 
ID	FL3FCBCS0008 
KNApSAcK_ID	C00006370 
NAME	Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	21089-34-9 
FORMULA	C23H24O10 
EXACTMASS	460.136946988 
AVERAGEMASS	460.43066 
SMILES	c(c1C(=C4)Oc(c2)c(C(=O)4)c(O)c([C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)c2OC)cc(OC)cc1 
M  END
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