Mol:FLIC1LNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
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   -0.4034   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971    0.2883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.0971    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4034    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5972   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5254   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0613    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3459    1.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0971   -0.2479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1340   -0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3914   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2574   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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  8  9  1  0  0  0  0 
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 16 11  2  0  0  0  0 
  1 17  1  0  0  0  0 
  8 18  1  1  0  0  0 
 12 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    1.6314   -0.7426 
S  SKP  8 
ID	FLIC1LNS0003 
KNApSAcK_ID	C00002583 
NAME	(+)-Vestitol;(3S)-Vestitol;(3S)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol 
CAS_RN	20879-05-4 
FORMULA	C16H16O4 
EXACTMASS	272.104859 
AVERAGEMASS	272.29584 
SMILES	COc(c3)cc(O)c(c3)[C@@]([H])(C1)Cc(c2)c(cc(O)c2)O1 
M  END