Mol:FL1A1CGS0001

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FL1A1CGS0001.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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   -2.3111   -0.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4368    0.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3424    1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5455    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
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 15 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
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 23 10  1  0  0  0  0 
 16 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 ^CH2OH 
M  SBV   1 33   -6.7382    4.3051 
S  SKP  8 
ID	FL1A1CGS0001 
KNApSAcK_ID	C00008043 
NAME	Sulfurein 
CAS_RN	531-63-5 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c1O)c(C=c(c4=O)oc(c43)cc(cc3)OC(O2)C(O)C(O)C(O)C2CO)ccc1O 
M  END
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