Mol:FL5FDCGS0010

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FL5FDCGS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    2.7532    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  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 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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 32 33  1  0  0  0  0 
  3 34  1  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  33 
M  SMT   3  CH2OH 
M  SVB   3 33   -2.9108    0.7192 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37   -0.4752   -1.3346 
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     1.829   -1.0591 
S  SKP  8 
ID	FL5FDCGS0010 
KNApSAcK_ID	C00005601 
NAME	Caryatin 7-glucoside;Quercetin 3,5-dimethyl ether 7-glucoside;2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	151590-52-2 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	O(C)C(=C3c(c4)ccc(c4O)O)C(c(c(O3)2)c(OC)cc(c2)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)O)=O 
M  END
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