Mol:FL4DE9NS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3735   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7647    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7647    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456    0.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991   -0.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456   -0.6679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -1.3454    0.0000 C   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
  3  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  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  8 18  1  1  0  0  0
  6 19  1  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
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1 OCH3
M  SBV   1 25   -8.0376    4.5248
S  SKP  8
ID	FL4DE9NS0003
KNApSAcK_ID	C00008599
NAME	3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone
CAS_RN	83532-20-1
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c43)c(C(=O)1)c(cc(OCO4)3)OC(c(c2)cccc2)C(O)1
M  END

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