Mol:FL1DCANM0001

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FL1DCANM0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.7296    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7296   -0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001   -0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8001    0.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -1.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804   -0.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357   -1.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357    0.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649    1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436    0.6000    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
  8 17  2  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  22
M  SMT   1 ^OCH3
M  SBV   1 22   -5.9663    4.6219
S  SKP  8
ID	FL1DCANM0001
KNApSAcK_ID	C00007999
NAME	4,2',6'-Trihydroxy-4'-methoxy-3'-methyldihydrochalcone
CAS_RN	72461-71-3
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c1)c(C)c(O)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M  END

</pre>

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