Mol:FL1CEANS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0159    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0159   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2093   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7654   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3215    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3470   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4596   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268    0.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6268   -0.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3472    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673    0.5467    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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 13 21  1  0  0  0  0
  5 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  24
M  SMT   1 OCH3
M  SBV   1 24   -5.0857    4.2386
S  SKP  8
ID	FL1CEANS0004
KNApSAcK_ID	C00007027
NAME	4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone
CAS_RN	73694-19-6
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c1)c(C(=O)C=Cc(c3)ccc(O)c3)c(O)c(O2)c(OC2)1
M  END

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