Mol:FL3FA9NP0004

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FL3FA9NP0004.png

 
 
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 25 28  0  0  0  0  0  0  0  0999 V2000 
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   -1.3680   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3009    0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3009   -1.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4133    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9803   -0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5472    0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5472    0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9803    1.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4133    0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.9243    0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9243    0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5472    0.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3197    1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2481   -1.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5337   -1.5925    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21  1  1  0  0  0  0 
 20 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
  3 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  27 
M  SMT   1 OCH3 
M  SBV   1 27   -7.6578    3.7642 
S  SKP  8 
ID	FL3FA9NP0004 
KNApSAcK_ID	C00004047 
NAME	Isopongaflavone;Candidin (Tephrosia);5-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 
CAS_RN	64125-33-3 
FORMULA	C21H18O4 
EXACTMASS	334.120509064 
AVERAGEMASS	334.36521999999997 
SMILES	COc(c42)cc(O1)c(c2OC(=CC4=O)c(c3)cccc3)C=CC(C)(C)1 
M  END
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