Mol:FL3F1ANS0002

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0624    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    1.5654    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
 13 14  1  0  0  0  0
 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
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.4197    0.6994
S  SKP  8
ID	FL3F1ANS0002
KNApSAcK_ID	C00003801
NAME	Isopratol;4'-Hydroxy-7-methoxyflavone
CAS_RN	32272-23-4
FORMULA	C16H12O4
EXACTMASS	268.073558872
AVERAGEMASS	268.26408
SMILES	COc(c3)cc(O1)c(c3)C(=O)C=C1c(c2)ccc(O)c2
M  END

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