Mol:FL2FE8NS0005

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Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.1970    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1970   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826    0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609   -0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6609    0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536    0.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4194    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338    1.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4194    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -1.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826   -1.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338   -0.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    0.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816    0.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4666   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  2  1  0  0  0  0
S  SKP  8
ID	FL2FE8NS0005
KNApSAcK_ID	C00014131
NAME	5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone
CAS_RN	188440-64-4
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	Oc(c4)c(O)c(cc4)C(C3)Oc(c1)c(C(=O)3)c(O)c(O2)c(OC2)1
M  END

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