Mol:FL5F1CNS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.2177    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2177   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6614   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0075    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.5636    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1306    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6976    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6976    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1306    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.3856    0.2173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7736    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3253    1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8735   -1.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7396   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0208    0.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7960    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
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  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  9 10  1  0  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.7736    0.6625 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    0.2178   -0.7467 
S  SKP  8 
ID	FL5F1CNS0007 
KNApSAcK_ID	C00005045 
NAME	Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	1668-33-3 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c41)(OCO4)ccc(C(O3)=C(C(c(c32)ccc(OC)c2)=O)OC)c1 
M  END