Mol:FLIABCNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 32  0  0  0  0  0  0  0  0999 V2000 
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   -0.1522    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1522    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7085    1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4041    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9604    0.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9604    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4041    1.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5165    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
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  3 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -5.9458    5.1106 
S  SKP  8 
ID	FLIABCNF0001 
KNApSAcK_ID	C00009509 
NAME	Glabrescione A 
CAS_RN	65893-95-0 
FORMULA	C22H18O6 
EXACTMASS	378.110338308 
AVERAGEMASS	378.37472 
SMILES	c(c51)(CC(C(C)=C)O5)c(c(C2=O)c(OC=C2c(c4)cc(O3)c(c4)OC3)c1)OC 
M  END