Mol:FLIB1LNS0002

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.9047    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4043   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4043    1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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  3  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
    1.0613   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.1340   -0.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -0.3867    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  7 19  2  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	FLIB1LNS0002
KNApSAcK_ID	C00002584
NAME	Vestitone;7,2'-Dihydroxy-4'-methoxyisoflavanone
CAS_RN	66211-83-4
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c3)cc(O)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

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