Mol:FLIA2LGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 40  0  0  0  0  0  0  0  0999 V2000 
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    3.2596   -0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3456    1.0622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
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  6 12  2  0  0  0  0 
  7 13  1  0  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  37 
M  SMT   3  CH2OH 
M  SVB   3 37   -3.1481    1.6981 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  39 
M  SMT   2  OCH3 
M  SVB   2 39    2.9839    0.8361 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35   -1.3996    0.3948 
S  SKP  8 
ID	FLIA2LGS0001 
KNApSAcK_ID	C00010102 
NAME	Dalpatein 7-O-glucoside;Dalpatin 
CAS_RN	40522-40-5 
FORMULA	C24H24O12 
EXACTMASS	504.126776232 
AVERAGEMASS	504.44016 
SMILES	O(c43)C=C(C(=O)c(cc(c(O[C@@H]([C@H]5O)OC([C@H](O)[C@@H]5O)CO)c4)OC)3)c(c(OC)2)cc(c1c2)OCO1 
M  END