Mol:FLICUNNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.0196    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4633   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9070    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9512   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3565    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
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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  1  0  0  0  0 
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  7 23  1  0  0  0  0 
 12 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1 ^OCH3 
M  SBV   1 28   -5.9269    2.7619 
S  SKP  8 
ID	FLICUNNS0001 
KNApSAcK_ID	C00009740 
NAME	Ambanol 
CAS_RN	63838-66-4 
FORMULA	C19H16O6 
EXACTMASS	340.094688244 
AVERAGEMASS	340.32674 
SMILES	c(c45)c(c(OC)cc4OCO5)C(C3O)COc(c32)cc(c1c2)occ1 
M  END