Mol:FL1CEANS0004

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FL1CEANS0004.png

 
 
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 
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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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